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18961-96-1 | Phosphorodichloridothioic acid, O-phenyl ester
CAS No: 18961-96-1 Catalog No: AG002DT0 MDL No:MFCD00086396
Product Description
Catalog Number:
AG002DT0
Chemical Name:
Phosphorodichloridothioic acid, O-phenyl ester
CAS Number:
18961-96-1
Molecular Formula:
C6H5Cl2OPS
Molecular Weight:
227.0481
MDL Number:
MFCD00086396
IUPAC Name:
dichloro-phenoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C6H5Cl2OPS/c7-10(8,11)9-6-4-2-1-3-5-6/h1-5H
InChI Key:
ODPZLWXUWFTSEA-UHFFFAOYSA-N
SMILES:
ClP(=S)(Oc1ccccc1)Cl
NSC Number:
158051
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.918g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.039g/mol
Monoisotopic Mass:
225.918g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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