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27896-84-0 | 5-Nitrobenzimidazole nitrate
CAS No: 27896-84-0 Catalog No: AG003MX3 MDL No:MFCD00013157
Product Description
Catalog Number:
AG003MX3
Chemical Name:
5-Nitrobenzimidazole nitrate
CAS Number:
27896-84-0
MDL Number:
MFCD00013157
IUPAC Name:
nitric acid;6-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H5N3O2.HNO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);(H,2,3,4)
InChI Key:
ZUZQXHSOEZUAIS-UHFFFAOYSA-N
EC Number:
248-716-4
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.148g/mol
Monoisotopic Mass:
226.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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