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88467-77-0 | 2-Propanone, 1-(1-ethyl-1H-benzimidazol-2-yl)-
CAS No: 88467-77-0 Catalog No: AG004ADN MDL No:
Product Description
Catalog Number:
AG004ADN
Chemical Name:
2-Propanone, 1-(1-ethyl-1H-benzimidazol-2-yl)-
CAS Number:
88467-77-0
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
1-(1-ethylbenzimidazol-2-yl)propan-2-one
InChI:
InChI=1S/C12H14N2O/c1-3-14-11-7-5-4-6-10(11)13-12(14)8-9(2)15/h4-7H,3,8H2,1-2H3
InChI Key:
LFJFNTDCZLUTOL-UHFFFAOYSA-N
SMILES:
CCn1c(CC(=O)C)nc2c1cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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