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Home > Nitro Compounds > 10259-20-8
10259-20-8 | Phosphinic acid, P,P-diphenyl-, 4-nitrophenyl ester
CAS No: 10259-20-8 Catalog No: AG0007VG MDL No:
Product Description
Catalog Number:
AG0007VG
Chemical Name:
Phosphinic acid, P,P-diphenyl-, 4-nitrophenyl ester
CAS Number:
10259-20-8
Molecular Formula:
C18H14NO4P
Molecular Weight:
339.2818
IUPAC Name:
1-diphenylphosphoryloxy-4-nitrobenzene
InChI:
InChI=1S/C18H14NO4P/c20-19(21)15-11-13-16(14-12-15)23-24(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChI Key:
DQBVHFNRUKVDBD-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.066g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.287g/mol
Monoisotopic Mass:
339.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Probing the simulant behavior of PNPDPP toward parathion and paraoxon: a computational study. | Journal of molecular graphics & modelling 20120401 |
| Alkali-metal-ion catalysis and inhibition in the nucleophilic displacement reaction of y-substituted phenyl diphenylphosphinates and diphenylphosphinothioates with alkali-metal ethoxides: effect of changing the electrophilic center from P=O to P=S. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120116 |
| Carboxylesterase: specificity and spontaneous reactivation of an endogenous scavenger for organophosphorus compounds. | Journal of applied toxicology : JAT 20011201 |
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