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69984-78-7 | 1H-Benzimidazole-6-carbonitrile
CAS No: 69984-78-7 Catalog No: AG005GL1 MDL No:
Product Description
Catalog Number:
AG005GL1
Chemical Name:
1H-Benzimidazole-6-carbonitrile
CAS Number:
69984-78-7
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
IUPAC Name:
3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)
InChI Key:
NICYTXJGZRYCEQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]cn2
NSC Number:
12001
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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