| CAS Number | 1245915-91-6 |
| Catalog Number | AG00A5X3 |
| Chemical Name | 1-(5-Bromo-2-chloropyridin-4-yl)ethanone |
| IUPAC Name | 1-(5-bromo-2-chloropyridin-4-yl)ethanone |
| InChI | InChI=1S/C7H5BrClNO/c1-4(11)5-2-7(9)10-3-6(5)8/h2-3H,1H3 |
| InChI Key | BQUJDHLISMYKQM-UHFFFAOYSA-N |
| MDL Number | MFCD11847348 |
| Molecular Formula | C7H5BrClNO |
| Molecular Weight | 234.4777 |
| SMILES | CC(=O)C1=CC(=NC=C1Br)Cl |
| Synonyms | 1-(5-BROMO-2-CHLOROPYRIDIN-4-YL)ETHANONE,
1245915-91-6,
MFCD11847348,
ZINC95704945,
AS-41080,
SC-32673,
1-(5-Bromo-2-chloro-4-pyridinyl)ethanone,
1-(5-bromo-2-chloropyridin-4-yl)ethanone, 95% - 1G 1g,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.477g/mol |
| Monoisotopic Mass | 232.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number