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1149380-46-0 | Benzonitrile, 3-iMidazo[1,2-b]pyridazin-2-yl-
CAS No: 1149380-46-0 Catalog No: AG000FG6 MDL No:
Product Description
Catalog Number:
AG000FG6
Chemical Name:
Benzonitrile, 3-iMidazo[1,2-b]pyridazin-2-yl-
CAS Number:
1149380-46-0
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
3-imidazo[1,2-b]pyridazin-2-ylbenzonitrile
InChI:
InChI=1S/C13H8N4/c14-8-10-3-1-4-11(7-10)12-9-17-13(16-12)5-2-6-15-17/h1-7,9H
InChI Key:
LIZGECYXCHZNJQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cn2c(n1)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:
0
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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