Basic information
- CAS
63013-15-0- Standard SMILES
O=C(NC(C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
KKRVOLQYNMANNM-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- 2-[(4-Nitrobenzoyl)amino]-2-phenylacetic acid
- IUPAC
- 2-[(4-nitrobenzoyl)amino]-2-phenylacetic acid
Names & synonyms
63013-15-0({4-nitrobenzoyl}amino)(phenyl)acetic acid2-(4-nitrobenzamido)-2-phenylacetic acid2-[(4-nitrobenzoyl)amino]-2-phenylacetic acidNSC404021DTXSID80323441SBB004626(4-Nitrobenzamido)(phenyl)acetic acidAKOS000200359NSC-404021AJ-077/332700112-[(4-nitrophenyl)carbonylamino]-2-phenylacetic acid
Database identifiers
- CAS
63013-15-0- PubChem CID
- 346019
- DTXSID
DTXSID80323441
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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