| CAS Number | 80099-90-7 |
| Catalog Number | AG01DHPT(AGN-PC-02NBBZ) |
| Chemical Name | (4-Chlorophenyl)(2-chloropyridin-4-yl)methanone |
| IUPAC Name | (4-chlorophenyl)-(2-chloropyridin-4-yl)methanone |
| InChI | InChI=1S/C12H7Cl2NO/c13-10-3-1-8(2-4-10)12(16)9-5-6-15-11(14)7-9/h1-7H |
| InChI Key | IODXVSLRIRMETH-UHFFFAOYSA-N |
| MDL Number | MFCD23904363 |
| Molecular Formula | C12H7Cl2NO |
| Molecular Weight | 252.0961 |
| SMILES | Clc1ccc(cc1)C(=O)c1ccnc(Cl)c1 |
| Synonyms | (4-chlorophenyl)(2-chloropyridin-4-yl)methanone,
80099-90-7,
SCHEMBL10633345,
AKOS019024296,
CS-0061679,
|
| Complexity | 251 |
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number