| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:28:49 -0600 |
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| Update Date | 2015-06-03 17:19:21 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | Bromobenzene-2,3-oxide |
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| Description | Bromobenzene-2,3-oxide is a member of the chemical class known as Organic Compounds. These are compounds containing at least one carbon atom. |
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| Structure | |
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| Synonyms: | - (3S)-2,3-epoxysqualene
- (3s)-2,3-Epoxysqualene
- (S)-squalene-2,3-epoxide
- 2,3-EDSQ
- 2,3-epoxisqualene
- 2,3-oxidosqualene
- 2-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
- Bromobenzene 2,3-oxide
- Bromobenzene-2,3-epoxide
- Oxidosqualene
- Squalene 2,3-epoxide
- Squalene 2,3-oxide
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| Chemical Formula: | C6H5BrO |
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| Weight: | Average: 173.007
Monoisotopic: 171.952377429 |
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| InChI Key: | RLBVUCNBWFGERE-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H |
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| CAS number: | 71942-12-6 |
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| IUPAC Name: | 2-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene |
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| Traditional IUPAC Name: | bromobenzene 2,3-oxide |
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| SMILES: | BrC1=CC=CC2OC12 |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Epoxides |
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| Sub Class | Not Available |
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| Direct Parent | Epoxides |
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| Alternative Parents | |
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| Substituents | - Oxacycle
- Bromoalkene
- Haloalkene
- Vinyl halide
- Vinyl bromide
- Ether
- Oxirane
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organobromide
- Organohalogen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State: | Not Available |
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| Charge: | 0 |
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| Melting point: | Not Available |
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| Experimental Properties: | |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations: | Cytoplasm |
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| Reactions: | |
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| SMPDB Pathways: | |
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| KEGG Pathways: | |
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| Not Available |
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| Spectra |
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| Spectra: | |
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| References |
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| References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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| Synthesis Reference: | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| Links |
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| External Links: | |
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