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84062-35-1 | (4-(DICHLOROMETHYL)PHENYL)(4-NITROPHENYL)PHOSPHINIC ACID 4-NITROPHENYL ESTER
CAS No: 84062-35-1 Catalog No: AG004Q39 MDL No:
Product Description
Catalog Number:
AG004Q39
Chemical Name:
(4-(DICHLOROMETHYL)PHENYL)(4-NITROPHENYL)PHOSPHINIC ACID 4-NITROPHENYL ESTER
CAS Number:
84062-35-1
Molecular Formula:
C19H13Cl2N2O6P
Molecular Weight:
467.1961
IUPAC Name:
1-(dichloromethyl)-4-[(4-nitrophenoxy)-(4-nitrophenyl)phosphoryl]benzene
InChI:
InChI=1S/C19H13Cl2N2O6P/c20-19(21)13-1-9-17(10-2-13)30(28,18-11-5-15(6-12-18)23(26)27)29-16-7-3-14(4-8-16)22(24)25/h1-12,19H
InChI Key:
VYRIKXDDBXPLFK-UHFFFAOYSA-N
SMILES:
ClC(c1ccc(cc1)P(=O)(c1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.989g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.195g/mol
Monoisotopic Mass:
465.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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