Phosphoric acid, diethyl (4-(4-nitrophenyl)phenyl) ester

HCID 181545

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Basic information

CAS: 37782-06-2
Standard SMILES: CCOP(=O)(OCC)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey: SNOOFCJQIAHNDO-UHFFFAOYSA-N
Molecular formula: C16H18NO6P
Average molar mass: 351.29 g/mol
Monoisotopic mass: 351.08717429

Names & identifiers

Preferred name: Phosphoric acid, diethyl (4-(4-nitrophenyl)phenyl) ester
IUPAC: diethyl [4-(4-nitrophenyl)phenyl] phosphate

Names & synonyms

37782-06-2Phosphoric acid, diethyl (4-(4-nitrophenyl)phenyl) esterDiethyl (4-(4-nitrophenyl)phenyl) phosphateDTXSID20191227Diethyl 4'-nitro[1,1'-biphenyl]-4-yl phosphate

Database identifiers

CAS: 37782-06-2
PubChem CID: 181545
DTXSID: DTXSID20191227

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 90.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 428

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