4-Nitrophenyl methyl(4-nitrophenyl)phosphinate

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Basic information

CAS: 80751-41-3
Standard SMILES: CP(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIKey: FOSFAUMXZKVQMV-UHFFFAOYSA-N
Molecular formula: C13H11N2O6P
Average molar mass: 322.21 g/mol
Monoisotopic mass: 322.03547307

Names & identifiers

Preferred name: 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate
IUPAC: 1-[methyl-(4-nitrophenyl)phosphoryl]oxy-4-nitrobenzene
English name: 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate
Molecular formula: C13H11N2O6P
Molecular weight: 322.21

Names & synonyms

4-Nitrophenyl methyl(4-nitrophenyl)phosphinate80751-41-3DTXSID201001463Phosphinic acid, methyl(4-nitrophenyl)-, 4-nitrophenyl esterPhosphinic acid, methyl(4-nitrophenyl)-, 4-nitrophenyl ester (9CI)

Database identifiers

CAS: 80751-41-3
PubChem CID: 149846
DTXSID: DTXSID201001463

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 118 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 458

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Compound notes

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