Basic information
- CAS
31366-38-8- Standard SMILES
Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
IDQAOTGARKTEOL-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- 4-Nitrophenyl 4-aminobenzoate
- IUPAC
- (4-nitrophenyl) 4-aminobenzoate
Names & synonyms
4-nitrophenyl 4-aminobenzoateMLS00075632231366-38-8NSC163802CHEMBL1403316DTXSID60303963NSC-163802SMR000528678
Database identifiers
- CAS
31366-38-8- PubChem CID
- 294758
- DTXSID
DTXSID60303963- ChEMBL
CHEMBL1403316
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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