Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
Basic information
- CAS
87382-61-4- Standard SMILES
CC(=O)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
FUBCNHRFGSAIMG-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 4-acetamidobenzoate
Names & synonyms
Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester87382-61-4DTXSID704289544-NITROPHENYL 4-ACETAMIDOBENZOATE
Database identifiers
- CAS
87382-61-4- PubChem CID
- 7900945
- DTXSID
DTXSID70428954
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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