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67200-57-1 | 2-Propen-1-one, 3-(1H-benzimidazol-1-yl)-1-phenyl-, (E)-
CAS No: 67200-57-1 Catalog No: AG0063SK MDL No:
Product Description
Catalog Number:
AG0063SK
Chemical Name:
2-Propen-1-one, 3-(1H-benzimidazol-1-yl)-1-phenyl-, (E)-
CAS Number:
67200-57-1
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
3-(benzimidazol-1-yl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H12N2O/c19-16(13-6-2-1-3-7-13)10-11-18-12-17-14-8-4-5-9-15(14)18/h1-12H
InChI Key:
ISBLLECMKUPRFJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/n1cnc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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