3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Basic information
- CAS
6322-36-7- Standard SMILES
O=C(c1ccccc1)C(Br)C(C(=O)O)C(c1ccccc1)[N+](=O)[O-]- InChIKey
LQPOHKIFSNKCPV-UHFFFAOYSA-N- Molecular formula
- C17H14BrNO5
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.00554
Names & identifiers
- Preferred name
- 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
- IUPAC
- 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Names & synonyms
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid6322-36-7NSC32211DTXSID30283586NSC-32211
Database identifiers
- CAS
6322-36-7- PubChem CID
- 233576
- DTXSID
DTXSID30283586
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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