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Home > Pyridines > 1267230-52-3
1267230-52-3 | 3-Pyridinecarbonitrile, 5-(4-methylphenyl)-
CAS No: 1267230-52-3 Catalog No: AG000T4P MDL No:
Product Description
Catalog Number:
AG000T4P
Chemical Name:
3-Pyridinecarbonitrile, 5-(4-methylphenyl)-
CAS Number:
1267230-52-3
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
5-(4-methylphenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2/c1-10-2-4-12(5-3-10)13-6-11(7-14)8-15-9-13/h2-6,8-9H,1H3
InChI Key:
IGWMSANHQMUUGH-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1ccc(cc1)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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