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146064-46-2 | Thiocyanic acid, (diethoxyphosphinyl)phenylmethyl ester
CAS No: 146064-46-2 Catalog No: AG001DNY MDL No:
Product Description
Catalog Number:
AG001DNY
Chemical Name:
Thiocyanic acid, (diethoxyphosphinyl)phenylmethyl ester
CAS Number:
146064-46-2
Molecular Formula:
C12H16NO3PS
Molecular Weight:
285.2991
IUPAC Name:
[diethoxyphosphoryl(phenyl)methyl] thiocyanate
InChI:
InChI=1S/C12H16NO3PS/c1-3-15-17(14,16-4-2)12(18-10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3
InChI Key:
YNUXXTGFHXCOCM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)SC#N)OCC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.298g/mol
Monoisotopic Mass:
285.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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