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Phosphinic acid, (p-nitrophenyl)phenyl- 5435-78-9 98%
【Name】
(4-nitrophenyl)phenylphosphinic acid
【CAS Registry number】
5435-78-9
【Synonyms】
(4-Nitrophenyl)phenylphosphinic acid
phosphinic acid, P-(4-nitrophenyl)-P-phenyl-
【Molecular Formula】
C12H10NO4P (Products with the same molecular formula)
【Molecular Weight】
263.1859
【Inchi】
InChI=1/C12H10NO4P/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H,(H,16,17)
【Canonical SMILES】
C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)[N+](=O)[O-])O
【MOL File】
5435-78-9.mol
Chemical and Physical Properties
【Density】
1.41g/cm3
【Boiling Point】
529.9°C at 760 mmHg
【Refractive Index】
1.626
【Flash Point】
274.3°C
【Computed Properties】
Molecular Weight:263.185861 [g/mol]
Molecular Formula:C12H10NO4P
XLogP3-AA:1.8
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:263.034744
MonoIsotopic Mass:263.034744
Topological Polar Surface Area:83.1
Heavy Atom Count:18
Formal Charge:0
Complexity:341
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:5
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