2-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
Basic information
- CAS
71942-12-6- Standard SMILES
BrC1=CC=CC2OC12- InChIKey
RLBVUCNBWFGERE-UHFFFAOYSA-N- Molecular formula
- C6H5BrO
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.95238
Overview
Bromobenzene-2,3-oxide is an epoxide.
Names & identifiers
- Preferred name
- 2-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
- IUPAC
- 2-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene
- English name
- bromobenzene 2,3-oxide
- Molecular formula
- C6H5BrO
- Molecular weight
- 0
Names & synonyms
Bromobenzene-2,3-epoxideBromobenzene 2,3-oxide71942-12-62-Bromo-7-oxabicyclo[4.1.0]hepta-2,4-dieneDTXSID909926472-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-dieneRefChem:909681DTXCID001419713Bromobenzene-2,3-oxideCHEBI:345877-Oxabicyclo(4.1.0)hepta-2,4-diene, 2-bromo-Q27116164
Database identifiers
- CAS
71942-12-6- PubChem CID
- 3036760
- DTXSID
DTXSID90992647- ChEBI
CHEBI:34587- Nikkaji
- J2.790.485H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Chemistry & industry
Additional notes
DefinitionChEBI: Bromobenzene-2,3-oxide is an epoxide.
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