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87361-72-6 | Phosphonic acid, [(4-chlorophenyl)cyanomethyl]-, diethyl ester
CAS No: 87361-72-6 Catalog No: AG004KOZ MDL No:
Product Description
Catalog Number:
AG004KOZ
Chemical Name:
Phosphonic acid, [(4-chlorophenyl)cyanomethyl]-, diethyl ester
CAS Number:
87361-72-6
Molecular Formula:
C12H15ClNO3P
Molecular Weight:
287.6792
IUPAC Name:
2-(4-chlorophenyl)-2-diethoxyphosphorylacetonitrile
InChI:
InChI=1S/C12H15ClNO3P/c1-3-16-18(15,17-4-2)12(9-14)10-5-7-11(13)8-6-10/h5-8,12H,3-4H2,1-2H3
InChI Key:
RSCUOQUVDHTOPP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)Cl)C#N)OCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.68g/mol
Monoisotopic Mass:
287.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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