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Home > Imidazoles > 66108-85-8
66108-85-8 | 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-5-nitro-(9CI)
CAS No: 66108-85-8 Catalog No: AG00FDA7 MDL No:MFCD18157683
Product Description
Catalog Number:
AG00FDA7
Chemical Name:
2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-5-nitro-(9CI)
CAS Number:
66108-85-8
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD18157683
IUPAC Name:
3-methyl-6-nitro-1H-benzimidazol-2-one
InChI:
InChI=1S/C8H7N3O3/c1-10-7-3-2-5(11(13)14)4-6(7)9-8(10)12/h2-4H,1H3,(H,9,12)
InChI Key:
PXNJJNDWAPIHSS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(=O)n2C
EC Number:
613-897-4
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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