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70581-00-9 | 1-[4-(4-Pyridinyl)phenyl]-ethanone
CAS No: 70581-00-9 Catalog No: AG00FHE8 MDL No:MFCD11932665
Product Description
Catalog Number:
AG00FHE8
Chemical Name:
1-[4-(4-Pyridinyl)phenyl]-ethanone
CAS Number:
70581-00-9
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD11932665
IUPAC Name:
1-(4-pyridin-4-ylphenyl)ethanone
InChI:
InChI=1S/C13H11NO/c1-10(15)11-2-4-12(5-3-11)13-6-8-14-9-7-13/h2-9H,1H3
InChI Key:
LCQWVYDFAHJHLM-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1ccncc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Dibromidobis{1-[4-(pyridin-4-yl)phen-yl]ethanone-κN}mercury(II). | Acta crystallographica. Section E, Structure reports online 20111201 |
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