2-Bromo-2-(4-nitrophenyl)-1-phenylethanone
Basic information
- CAS
5033-71-6- Standard SMILES
O=C(c1ccccc1)C(Br)c1ccc([N+](=O)[O-])cc1- InChIKey
XLTBYLVUSIGVTA-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- 2-Bromo-2-(4-nitrophenyl)-1-phenylethanone
- IUPAC
- 2-bromo-2-(4-nitrophenyl)-1-phenylethanone
Names & synonyms
5033-71-62-bromo-2-(4-nitrophenyl)-1-phenylethanone2-bromo-2-(4-nitrophenyl)-1-phenyl-ethanoneNSC144626SCHEMBL28551178DTXSID30301597NSC-144626DS-0130092-Bromo-2-(4-nitrophenyl)-1-phenylethan-1-one
Database identifiers
- CAS
5033-71-6- PubChem CID
- 286444
- DTXSID
DTXSID30301597
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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