[2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate
Basic information
- CAS
5529-35-1- Standard SMILES
CC(=Cc1ccccc1OC(=O)c1ccc(Br)cc1)[N+](=O)[O-]- InChIKey
GEFLMBVFCWKCOY-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO4
- Average molar mass
- 362.17 g/mol
- Monoisotopic mass
- 360.99497
Names & identifiers
- Preferred name
- [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate
- IUPAC
- [2-(2-nitroprop-1-enyl)phenyl] 4-bromobenzoate
Names & synonyms
5529-35-1[2-(2-nitroprop-1-enyl)phenyl] 4-bromobenzoateDTXSID404111762-(2-Nitroprop-1-en-1-yl)phenyl 4-bromobenzoate
Database identifiers
- CAS
5529-35-1- PubChem CID
- 5222877
- DTXSID
DTXSID40411176
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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