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662113-04-4 | 5-Bromo-2-(4-cyanophenyl)-7-azabenzimidazole
CAS No: 662113-04-4 Catalog No: AG01EWTN MDL No:MFCD16209276
Product Description
Catalog Number:
AG01EWTN
Chemical Name:
5-Bromo-2-(4-cyanophenyl)-7-azabenzimidazole
CAS Number:
662113-04-4
Molecular Formula:
C13H7BrN4
Molecular Weight:
299.1255
MDL Number:
MFCD16209276
IUPAC Name:
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
InChI:
InChI=1S/C13H7BrN4/c14-10-5-11-13(16-7-10)18-12(17-11)9-3-1-8(6-15)2-4-9/h1-5,7H,(H,16,17,18)
InChI Key:
NBRKITRXFMODQO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2c([nH]1)ncc(c2)Br
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.131g/mol
Monoisotopic Mass:
297.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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