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15045-55-3 | Phosphoramidothioic acid, O,O-bis(p-chlorophenyl) ester (6CI,8CI)
CAS No: 15045-55-3 Catalog No: AG001MN6 MDL No:
Product Description
Catalog Number:
AG001MN6
Chemical Name:
Phosphoramidothioic acid, O,O-bis(p-chlorophenyl) ester (6CI,8CI)
CAS Number:
15045-55-3
Molecular Formula:
C12H10Cl2NO2PS
Molecular Weight:
334.1581
IUPAC Name:
1-[amino-(4-chlorophenoxy)phosphinothioyl]oxy-4-chlorobenzene
InChI:
InChI=1S/C12H10Cl2NO2PS/c13-9-1-5-11(6-2-9)16-18(15,19)17-12-7-3-10(14)4-8-12/h1-8H,(H2,15,19)
InChI Key:
DPKYVAVOFSDHOU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OP(=S)(Oc1ccc(cc1)Cl)N
NSC Number:
202878
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.955g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.151g/mol
Monoisotopic Mass:
332.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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