| CAS Number | 166525-97-9 |
| Catalog Number | AG001WT1(AGN-PC-0WD5LQ) |
| Chemical Name | 1-Propanone, 1-(4-bromo-2-chlorophenyl)- |
| IUPAC Name | 1-(4-bromo-2-chlorophenyl)propan-1-one |
| InChI | InChI=1S/C9H8BrClO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | HTAIAXBXKUEXHB-UHFFFAOYSA-N |
| MDL Number | MFCD18390626 |
| Molecular Formula | C9H8BrClO |
| Molecular Weight | 247.5162 |
| SMILES | CCC(=O)C1=C(Cl)C=C(Br)C=C1 |
| Synonyms | 1-(4-Bromo-2-chlorophenyl)propan-1-one,
166525-97-9,
1-Propanone, 1-(4-bromo-2-chlorophenyl)-,
SCHEMBL1350653,
ZINC96034493,
NE16312,
DA-43569,
AJ-138312,
1-(4-bromo-2-chloro-phenyl)-propan-1-one,
FT-0710863,
|
| Complexity | 172 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number