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Home > Imidazoles > 835627-67-3
835627-67-3 | 1H-Benzimidazole-1-ethanol, 2,5-dimethyl-6-nitro-
CAS No: 835627-67-3 Catalog No: AG008IZT MDL No:
Product Description
Catalog Number:
AG008IZT
Chemical Name:
1H-Benzimidazole-1-ethanol, 2,5-dimethyl-6-nitro-
CAS Number:
835627-67-3
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
2-(2,5-dimethyl-6-nitrobenzimidazol-1-yl)ethanol
InChI:
InChI=1S/C11H13N3O3/c1-7-5-9-11(6-10(7)14(16)17)13(3-4-15)8(2)12-9/h5-6,15H,3-4H2,1-2H3
InChI Key:
JIVIXQKTVXCVKX-UHFFFAOYSA-N
SMILES:
OCCn1c(C)nc2c1cc([N+](=O)[O-])c(c2)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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