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Home > Pyridines > 1187168-21-3
1187168-21-3 | 4-(4-Methyl-3-pyridyl)benzonitrile
CAS No: 1187168-21-3 Catalog No: AG01FE2T MDL No:
Product Description
Catalog Number:
AG01FE2T
Chemical Name:
4-(4-Methyl-3-pyridyl)benzonitrile
CAS Number:
1187168-21-3
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
4-(4-methylpyridin-3-yl)benzonitrile
InChI:
InChI=1S/C13H10N2/c1-10-6-7-15-9-13(10)12-4-2-11(8-14)3-5-12/h2-7,9H,1H3
InChI Key:
KPUJYJYPXLTRGV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnccc1C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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