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13677-62-8 | Phosphorothioic acid, O-(2-chlorophenyl) O,O-diethyl ester
CAS No: 13677-62-8 Catalog No: AG0012CD MDL No:
Product Description
Catalog Number:
AG0012CD
Chemical Name:
Phosphorothioic acid, O-(2-chlorophenyl) O,O-diethyl ester
CAS Number:
13677-62-8
Molecular Formula:
C10H14ClO3PS
Molecular Weight:
280.7081
IUPAC Name:
(2-chlorophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C10H14ClO3PS/c1-3-12-15(16,13-4-2)14-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChI Key:
ZFSIIQADOGUJGD-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1ccccc1Cl)OCC
Properties
Complexity:
242
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:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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