| CAS Number | 1261775-99-8 |
| Catalog Number | AG000S0M |
| Chemical Name | 2'-Chloro-2,5'-dibromoacetophenone |
| IUPAC Name | 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone |
| InChI | InChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2 |
| InChI Key | CPYOJYNOGRYUIQ-UHFFFAOYSA-N |
| MDL Number | MFCD18392520 |
| Molecular Formula | C8H5Br2ClO |
| Molecular Weight | 312.3857 |
| SMILES | ClC1=C(C(CBr)=O)C=C(Br)C=C1 |
| Synonyms | 1261775-99-8,
5-Bromo-2-chlorophenacyl bromide,
SCHEMBL9926134,
2'-Chloro-2,5'-dibromoacetophenone,
MFCD18392520,
ZINC84193138,
AKOS017552782,
2-bromo-1-(5-bromo-2-chlorophenyl)ethan-1-one,
Ethanone, 2-bromo-1-(5-bromo-2-chlorophenyl)-,
2-Bromo-1-(5-bromo-2-chlorophenyl)ethanone,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.385g/mol |
| Monoisotopic Mass | 309.84g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number