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102767-80-6

102767-80-6 | Phosphinic acid, bis(4-methylphenyl)-, 4-nitrophenyl ester (9CI)

CAS No: 102767-80-6 Catalog No: AG0008BO MDL No:

Product Description

Catalog Number:
AG0008BO
Chemical Name:
Phosphinic acid, bis(4-methylphenyl)-, 4-nitrophenyl ester (9CI)
CAS Number:
102767-80-6
Molecular Formula:
C20H18NO4P
Molecular Weight:
367.3350
IUPAC Name:
1-methyl-4-[(4-methylphenyl)-(4-nitrophenoxy)phosphoryl]benzene
InChI:
InChI=1S/C20H18NO4P/c1-15-3-11-19(12-4-15)26(24,20-13-5-16(2)6-14-20)25-18-9-7-17(8-10-18)21(22)23/h3-14H,1-2H3
InChI Key:
GCLROCMYPRAXST-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)P(=O)(c1ccc(cc1)C)Oc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.097g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.341g/mol
Monoisotopic Mass:
367.097g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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