| CAS Number | 224040-88-4 |
| Catalog Number | AG00I4F9 |
| Chemical Name | 1-(3-Chlorophenyl)-2-(pyridin-3-yl)ethanone |
| IUPAC Name | 1-(3-chlorophenyl)-2-pyridin-3-ylethanone |
| InChI | InChI=1S/C13H10ClNO/c14-12-5-1-4-11(8-12)13(16)7-10-3-2-6-15-9-10/h1-6,8-9H,7H2 |
| InChI Key | NJVYYQXBYOHPLK-UHFFFAOYSA-N |
| MDL Number | MFCD16659392 |
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.6776 |
| SMILES | ClC1=CC(C(CC2=CN=CC=C2)=O)=CC=C1 |
| Synonyms | 224040-88-4,
1-(3-chlorophenyl)-2-(pyridin-3-yl)ethan-1-one,
1-(3-Chlorophenyl)-2-(3-pyridinyl)ethanone,
1-(3-Chlorophenyl)-2-(pyridin-3-yl)ethanone,
1-(3-CHLOROPHENYL)-2-(3-PYRIDYL)ETHANONE,
SCHEMBL6282383,
CTK4E9399,
DTXSID70624318,
MFCD16659392,
ZINC53130164,
AKOS011842229,
MCULE-6993976481,
NE46241,
AS-37288,
Z1860991889,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.679g/mol |
| Monoisotopic Mass | 231.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number