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88691-20-7 | Phosphonic dichloride, [2-chloro-1-methyl-1-(phenylthio)ethyl]-
CAS No: 88691-20-7 Catalog No: AG0046TV MDL No:
Product Description
Catalog Number:
AG0046TV
Chemical Name:
Phosphonic dichloride, [2-chloro-1-methyl-1-(phenylthio)ethyl]-
CAS Number:
88691-20-7
Molecular Formula:
C9H10Cl3OPS
Molecular Weight:
303.5729
IUPAC Name:
(1-chloro-2-dichlorophosphorylpropan-2-yl)sulfanylbenzene
InChI:
InChI=1S/C9H10Cl3OPS/c1-9(7-10,14(11,12)13)15-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
QASUUMMKINKCFF-UHFFFAOYSA-N
SMILES:
ClCC(P(=O)(Cl)Cl)(Sc1ccccc1)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.926g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.562g/mol
Monoisotopic Mass:
301.926g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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