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Home > Imidazoles > 80437-28-1
80437-28-1 | 1H-Benzimidazolium, 2-acetyl-1,3-dimethyl-
CAS No: 80437-28-1 Catalog No: AG005LCY MDL No:
Product Description
Catalog Number:
AG005LCY
Chemical Name:
1H-Benzimidazolium, 2-acetyl-1,3-dimethyl-
CAS Number:
80437-28-1
Molecular Formula:
C11H15N2O+
Molecular Weight:
191.2496
IUPAC Name:
1-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)ethanone
InChI:
InChI=1S/C11H14N2O/c1-8(14)11-12(2)9-6-4-5-7-10(9)13(11)3/h4-7,11H,1-3H3/p+1
InChI Key:
YVXQGIAFAQZTJI-UHFFFAOYSA-O
SMILES:
CC(=O)C1N(C)c2c([NH+]1C)cccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.118g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.254g/mol
Monoisotopic Mass:
191.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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