| CAS Number | 1094842-70-2 |
| Catalog Number | AG00JTBL(AGN-PC-0WOO8D) |
| Chemical Name | 1-(4-Bromophenyl)-3-chloropropan-2-one |
| IUPAC Name | 1-(4-bromophenyl)-3-chloropropan-2-one |
| InChI | InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4H,5-6H2 |
| InChI Key | VOMWRXLBUSAIKU-UHFFFAOYSA-N |
| MDL Number | MFCD11621964 |
| Molecular Formula | C9H8BrClO |
| Molecular Weight | 247.5162 |
| SMILES | ClCC(CC1=CC=C(Br)C=C1)=O |
| Synonyms | 1-(4-bromophenyl)-3-chloropropan-2-one,
1094842-70-2,
SCHEMBL3019548,
KS-00001L7I,
MFCD11621964,
ZINC37066108,
AKOS009404688,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.516g/mol |
| Monoisotopic Mass | 245.945g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number