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Home > Imidazoles > 89075-48-9
89075-48-9 | Benzonitrile, 4-(1H-imidazo[4,5-c]pyridin-2-yl)-
CAS No: 89075-48-9 Catalog No: AG0040EB MDL No:
Product Description
Catalog Number:
AG0040EB
Chemical Name:
Benzonitrile, 4-(1H-imidazo[4,5-c]pyridin-2-yl)-
CAS Number:
89075-48-9
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
4-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
InChI:
InChI=1S/C13H8N4/c14-7-9-1-3-10(4-2-9)13-16-11-5-6-15-8-12(11)17-13/h1-6,8H,(H,16,17)
InChI Key:
MPDFIPDZEWFRTO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2c([nH]1)ccnc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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