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Home > Imidazoles > 102676-31-3
102676-31-3 | Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1)
CAS No: 102676-31-3 Catalog No: AG00082S MDL No:
Product Description
Catalog Number:
AG00082S
Chemical Name:
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1)
CAS Number:
102676-31-3
Molecular Formula:
C14H14ClN3
Molecular Weight:
259.7341
IUPAC Name:
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
InChI Key:
UKCVAQGKEOJTSR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCCc2n1cnc2.Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.737g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
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