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261710-03-6 | 1H-Benzimidazol-1-amine, 5-nitro-
CAS No: 261710-03-6 Catalog No: AG002RYR MDL No:
Product Description
Catalog Number:
AG002RYR
Chemical Name:
1H-Benzimidazol-1-amine, 5-nitro-
CAS Number:
261710-03-6
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
IUPAC Name:
5-nitrobenzimidazol-1-amine
InChI:
InChI=1S/C7H6N4O2/c8-10-4-9-6-3-5(11(12)13)1-2-7(6)10/h1-4H,8H2
InChI Key:
IQPPTHNOSLKKJA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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