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89454-68-2 | Benzonitrile, 3-(1H-imidazo[4,5-b]pyridin-2-yl)-
CAS No: 89454-68-2 Catalog No: AG0042MX MDL No:
Product Description
Catalog Number:
AG0042MX
Chemical Name:
Benzonitrile, 3-(1H-imidazo[4,5-b]pyridin-2-yl)-
CAS Number:
89454-68-2
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
3-(1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
InChI:
InChI=1S/C13H8N4/c14-8-9-3-1-4-10(7-9)12-16-11-5-2-6-15-13(11)17-12/h1-7H,(H,15,16,17)
InChI Key:
JJQTZUFUUCRZRI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1nc2c([nH]1)cccn2
Properties
Complexity:
321
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:
2.1
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