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Home > Pyridines > 1187170-20-2
1187170-20-2 | 4-(2-Methyl-5-pyridyl)benzonitrile
CAS No: 1187170-20-2 Catalog No: AG01FE31 MDL No:
Product Description
Catalog Number:
AG01FE31
Chemical Name:
4-(2-Methyl-5-pyridyl)benzonitrile
CAS Number:
1187170-20-2
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
4-(6-methylpyridin-3-yl)benzonitrile
InChI:
InChI=1S/C13H10N2/c1-10-2-5-13(9-15-10)12-6-3-11(8-14)4-7-12/h2-7,9H,1H3
InChI Key:
TYQLXNKODYDCFO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(nc1)C
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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