(2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
Basic information
- CAS
37914-50-4- Standard SMILES
O=C(Oc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1- InChIKey
QFUDKDHSCXGQNZ-UHFFFAOYSA-N- Molecular formula
- C21H14N2O4
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.09535693
Names & identifiers
- Preferred name
- (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
- IUPAC
- (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
Names & synonyms
(2-phenyl-1H-indol-3-yl) 4-nitrobenzoate37914-50-4NSC176898DTXSID60330012NSC-1768982-Phenyl-1H-indol-3-yl 4-nitrobenzoateDS-007747
Database identifiers
- CAS
37914-50-4- PubChem CID
- 425847
- DTXSID
DTXSID60330012
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 535
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Compound notes
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