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88691-17-2 | Phosphonic acid, [2-chloro-1-(phenylthio)ethyl]-, dimethyl ester
CAS No: 88691-17-2 Catalog No: AG0046TW MDL No:
Product Description
Catalog Number:
AG0046TW
Chemical Name:
Phosphonic acid, [2-chloro-1-(phenylthio)ethyl]-, dimethyl ester
CAS Number:
88691-17-2
Molecular Formula:
C10H14ClO3PS
Molecular Weight:
280.7081
IUPAC Name:
(2-chloro-1-dimethoxyphosphorylethyl)sulfanylbenzene
InChI:
InChI=1S/C10H14ClO3PS/c1-13-15(12,14-2)10(8-11)16-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChI Key:
SZAHWXPWTUGLDX-UHFFFAOYSA-N
SMILES:
ClCC(P(=O)(OC)OC)Sc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.703g/mol
Monoisotopic Mass:
280.009g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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