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Home > Imidazoles > 98185-13-8
98185-13-8 | 2H-Benzimidazol-2-one, 5-nitro-
CAS No: 98185-13-8 Catalog No: AG006TAY MDL No:
Product Description
Catalog Number:
AG006TAY
Chemical Name:
2H-Benzimidazol-2-one, 5-nitro-
CAS Number:
98185-13-8
Molecular Formula:
C7H3N3O3
Molecular Weight:
177.1170
IUPAC Name:
5-nitrobenzimidazol-2-one
InChI:
InChI=1S/C7H3N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H
InChI Key:
CLHXKSVLPCOPHR-UHFFFAOYSA-N
SMILES:
O=C1N=c2c(=N1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.119g/mol
Monoisotopic Mass:
177.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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