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21081-94-7 | Phosphinothioic acid, diphenyl-, S-(4-chlorophenyl) ester (9CI)
CAS No: 21081-94-7 Catalog No: AG002KZH MDL No:
Product Description
Catalog Number:
AG002KZH
Chemical Name:
Phosphinothioic acid, diphenyl-, S-(4-chlorophenyl) ester (9CI)
CAS Number:
21081-94-7
Molecular Formula:
C18H14ClOPS
Molecular Weight:
344.7949
IUPAC Name:
1-chloro-4-diphenylphosphorylsulfanylbenzene
InChI:
InChI=1S/C18H14ClOPS/c19-15-11-13-18(14-12-15)22-21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChI Key:
VOQSHJCVOFORGO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.019g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.793g/mol
Monoisotopic Mass:
344.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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