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Home > Imidazoles > 69515-02-2
69515-02-2 | Ethanone, 1-(2-methyl-1H-benzimidazol-4-yl)- (9CI)
CAS No: 69515-02-2 Catalog No: AG006BRL MDL No:
Product Description
Catalog Number:
AG006BRL
Chemical Name:
Ethanone, 1-(2-methyl-1H-benzimidazol-4-yl)- (9CI)
CAS Number:
69515-02-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-(2-methyl-1H-benzimidazol-4-yl)ethanone
InChI:
InChI=1S/C10H10N2O/c1-6(13)8-4-3-5-9-10(8)12-7(2)11-9/h3-5H,1-2H3,(H,11,12)
InChI Key:
UBXWXFQDWRLUEZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1nc([nH]2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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