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6635-14-9 | 2-Propanone,1-(1H-benzimidazol-2-yl)-
CAS No: 6635-14-9 Catalog No: AG006N9N MDL No:
Product Description
Catalog Number:
AG006N9N
Chemical Name:
2-Propanone,1-(1H-benzimidazol-2-yl)-
CAS Number:
6635-14-9
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-(1H-benzimidazol-2-yl)propan-2-one
InChI:
InChI=1S/C10H10N2O/c1-7(13)6-10-11-8-4-2-3-5-9(8)12-10/h2-5H,6H2,1H3,(H,11,12)
InChI Key:
ZECUELAGGOAWOP-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1nc2c([nH]1)cccc2
NSC Number:
32157
Properties
Complexity:
205
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:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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