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115-85-5

115-85-5 | Phosphoric acid, 2-chlorophenyl diphenyl ester

CAS No: 115-85-5 Catalog No: AG000FKD MDL No:

Product Description

Catalog Number:
AG000FKD
Chemical Name:
Phosphoric acid, 2-chlorophenyl diphenyl ester
CAS Number:
115-85-5
Molecular Formula:
C18H14ClO4P
Molecular Weight:
360.7281
IUPAC Name:
(2-chlorophenyl) diphenyl phosphate
InChI:
InChI=1S/C18H14ClO4P/c19-17-13-7-8-14-18(17)23-24(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14H
InChI Key:
NMPAICLYKOKXAP-UHFFFAOYSA-N
SMILES:
Clc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1
NSC Number:
2861

Properties

Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.032g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.73g/mol
Monoisotopic Mass:
360.032g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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