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Home > Imidazoles > 76320-88-2
76320-88-2 | 2-Methyl-4-nitro-1H-benzo[d]imidazole
CAS No: 76320-88-2 Catalog No: AG005QDS MDL No:MFCD02181148
Product Description
Catalog Number:
AG005QDS
Chemical Name:
2-Methyl-4-nitro-1H-benzo[d]imidazole
CAS Number:
76320-88-2
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD02181148
IUPAC Name:
2-methyl-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C8H7N3O2/c1-5-9-6-3-2-4-7(11(12)13)8(6)10-5/h2-4H,1H3,(H,9,10)
InChI Key:
NPNUZBBMRYRAPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nc([nH]2)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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