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73259-46-8 | 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)-
CAS No: 73259-46-8 Catalog No: AG005FIJ MDL No:
Product Description
Catalog Number:
AG005FIJ
Chemical Name:
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)-
CAS Number:
73259-46-8
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
1-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H12N2O2/c19-12-8-5-11(6-9-12)7-10-15(20)16-17-13-3-1-2-4-14(13)18-16/h1-10,19H,(H,17,18)
InChI Key:
UAERZVRPLVLOSV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=CC(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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