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89630-56-8 | Acetonitrile, 2,2'-[(phenylmethyl)phosphinylidene]bis-
CAS No: 89630-56-8 Catalog No: AG003WZR MDL No:
Product Description
Catalog Number:
AG003WZR
Chemical Name:
Acetonitrile, 2,2'-[(phenylmethyl)phosphinylidene]bis-
CAS Number:
89630-56-8
Molecular Formula:
C11H11N2OP
Molecular Weight:
218.1916
IUPAC Name:
2-[benzyl(cyanomethyl)phosphoryl]acetonitrile
InChI:
InChI=1S/C11H11N2OP/c12-6-8-15(14,9-7-13)10-11-4-2-1-3-5-11/h1-5H,8-10H2
InChI Key:
YVDSNOQGYVWHFM-UHFFFAOYSA-N
SMILES:
N#CCP(=O)(Cc1ccccc1)CC#N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.196g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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