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847822-64-4 | 1H-Benzimidazole, 1-methyl-2-[(1E)-2-nitroethenyl]-
CAS No: 847822-64-4 Catalog No: AG004RHF MDL No:
Product Description
Catalog Number:
AG004RHF
Chemical Name:
1H-Benzimidazole, 1-methyl-2-[(1E)-2-nitroethenyl]-
CAS Number:
847822-64-4
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
1-methyl-2-(2-nitroethenyl)benzimidazole
InChI:
InChI=1S/C10H9N3O2/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13(14)15/h2-7H,1H3
InChI Key:
HKGGQSKPIYSFRW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1nc2c(n1C)cccc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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