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Home > Imidazoles > 28918-16-3
28918-16-3 | 1-Propanone, 3-(1H-imidazol-1-yl)-1-phenyl-
CAS No: 28918-16-3 Catalog No: AG002X25 MDL No:
Product Description
Catalog Number:
AG002X25
Chemical Name:
1-Propanone, 3-(1H-imidazol-1-yl)-1-phenyl-
CAS Number:
28918-16-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
3-imidazol-1-yl-1-phenylpropan-1-one
InChI:
InChI=1S/C12H12N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-5,7,9-10H,6,8H2
InChI Key:
JHFZXQDRGYYUGG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCn1cncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| catena-Poly[[bis-[3-(1H-imidazol-1-yl)-1-phenyl-propan-1-one-κN]nickel(II)]-μ-oxalato-κO,O:O,O]. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Design and synthesis of 3-(azol-1-yl)phenylpropanes as microbicidal spermicides for prophylactic contraception. | Bioorganic & medicinal chemistry letters 20110101 |
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