Home Halogens alpha-(4-chlorophenyl)pyridine-2-acetonitrile

alpha-(4-chlorophenyl)pyridine-2-acetonitrile

CAS No.:
5005-37-8
Catalog Number:
AG00DK0I
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
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Product Description
Catalog Number:
AG00DK0I
Chemical Name:
alpha-(4-chlorophenyl)pyridine-2-acetonitrile
CAS Number:
5005-37-8
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD00023489
IUPAC Name:
2-(4-chlorophenyl)-2-pyridin-2-ylacetonitrile
InChI:
InChI=1S/C13H9ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H
InChI Key:
TVLXKCIMEBLREH-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccn1)c1ccc(cc1)Cl
EC Number:
225-678-7
NSC Number:
165824
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties