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6752-08-5 | 1H-Benzimidazole,5-nitro-,3-oxide(9CI)
CAS No: 6752-08-5 Catalog No: AG00FQW8 MDL No:
Product Description
Catalog Number:
AG00FQW8
Chemical Name:
1H-Benzimidazole,5-nitro-,3-oxide(9CI)
CAS Number:
6752-08-5
IUPAC Name:
1-hydroxy-6-nitrobenzimidazole
InChI:
InChI=1S/C7H5N3O3/c11-9-4-8-6-2-1-5(10(12)13)3-7(6)9/h1-4,11H
InChI Key:
BYDHDSPHNDAGLR-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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