| CAS Number | 62247-03-4 |
| Catalog Number | AG01EJVC(AGN-PC-0NIIYD) |
| Chemical Name | (3,4-Dichlorophenyl)(pyridin-3-yl)methanone |
| IUPAC Name | (3,4-dichlorophenyl)-pyridin-3-ylmethanone |
| InChI | InChI=1S/C12H7Cl2NO/c13-10-4-3-8(6-11(10)14)12(16)9-2-1-5-15-7-9/h1-7H |
| InChI Key | XTCRDAUMVZZCDC-UHFFFAOYSA-N |
| MDL Number | MFCD11641919 |
| Molecular Formula | C12H7Cl2NO |
| Molecular Weight | 252.0961 |
| SMILES | ClC1=C(Cl)C=C(C(C2=CN=CC=C2)=O)C=C1 |
| Synonyms | (3,4-dichlorophenyl)(pyridin-3-yl)methanone,
62247-03-4,
3-(3,4-Dichlorobenzoyl)pyridine,
SCHEMBL11642669,
CTK2C4032,
DTXSID40488202,
XTCRDAUMVZZCDC-UHFFFAOYSA-N,
ZINC22121748,
DA-41930,
FT-0729399,
Methanone, (3,4-dichlorophenyl)-3-pyridinyl-,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.094g/mol |
| Monoisotopic Mass | 250.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number