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88691-27-4 | Phosphonic acid, [2-chloro-2-phenyl-1-(phenylthio)ethyl]-, dimethyl ester
CAS No: 88691-27-4 Catalog No: AG0046TT MDL No:
Product Description
Catalog Number:
AG0046TT
Chemical Name:
Phosphonic acid, [2-chloro-2-phenyl-1-(phenylthio)ethyl]-, dimethyl ester
CAS Number:
88691-27-4
Molecular Formula:
C16H18ClO3PS
Molecular Weight:
356.8041
IUPAC Name:
(1-chloro-2-dimethoxyphosphoryl-2-phenylsulfanylethyl)benzene
InChI:
InChI=1S/C16H18ClO3PS/c1-19-21(18,20-2)16(22-14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3
InChI Key:
NCJIQTREMVSGPT-UHFFFAOYSA-N
SMILES:
COP(=O)(C(C(c1ccccc1)Cl)Sc1ccccc1)OC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.04g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.801g/mol
Monoisotopic Mass:
356.04g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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