| CAS Number | 161957-60-4 |
| Catalog Number | AG00HYPD(AGN-PC-0A1EEQ) |
| Chemical Name | Ethanone, 1-(2-bromo-3-chlorophenyl)- |
| IUPAC Name | 1-(2-bromo-3-chlorophenyl)ethanone |
| InChI | InChI=1S/C8H6BrClO/c1-5(11)6-3-2-4-7(10)8(6)9/h2-4H,1H3 |
| InChI Key | KCCOVPPONJFFDS-UHFFFAOYSA-N |
| MDL Number | MFCD18390297 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | CC(=O)c1cccc(c1Br)Cl |
| Synonyms | 1-(2-BROMO-3-CHLOROPHENYL)ETHANONE,
161957-60-4,
SCHEMBL5696499,
2'-bromo-3'-chloroacetophenone,
CL9071,
MFCD18390297,
ZINC84526388,
FCH1369102,
Ethanone, 1-(2-bromo-3-chlorophenyl)-,
AS-46197,
OR400188,
FT-0752394,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.489g/mol |
| Monoisotopic Mass | 231.929g/mol |
| Rotatable Bond Count | 1 |
| 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