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119844-58-5 | 1H-Benzimidazol-2-amine, 6-nitro-, nitrate (1:1)
CAS No: 119844-58-5 Catalog No: AG000PSA MDL No:
Product Description
Catalog Number:
AG000PSA
Chemical Name:
1H-Benzimidazol-2-amine, 6-nitro-, nitrate (1:1)
CAS Number:
119844-58-5
Molecular Formula:
C7H7N5O5
Molecular Weight:
241.1610
IUPAC Name:
nitric acid;6-nitro-1H-benzimidazol-2-amine
InChI:
InChI=1S/C7H6N4O2.HNO3/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7;2-1(3)4/h1-3H,(H3,8,9,10);(H,2,3,4)
InChI Key:
MAMPXIDALLRHGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)N.[O-][N+](=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.163g/mol
Monoisotopic Mass:
241.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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