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102676-37-9 | Benzonitrile, 4-imidazo[1,5-a]pyridin-5-yl-
CAS No: 102676-37-9 Catalog No: AG00082R MDL No:
Product Description
Catalog Number:
AG00082R
Chemical Name:
Benzonitrile, 4-imidazo[1,5-a]pyridin-5-yl-
CAS Number:
102676-37-9
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
IUPAC Name:
4-imidazo[1,5-a]pyridin-5-ylbenzonitrile
InChI:
InChI=1S/C14H9N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h1-7,9-10H
InChI Key:
ZRBDYBQIBBZJBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc2n1cnc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.247g/mol
Monoisotopic Mass:
219.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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