| CAS Number | 795290-97-0 |
| Catalog Number | AG019P2G |
| Chemical Name | 2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethan-1-one |
| IUPAC Name | 2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethanone |
| InChI | InChI=1S/C10H9BrF2O2/c1-6-2-3-9(15-10(12)13)7(4-6)8(14)5-11/h2-4,10H,5H2,1H3 |
| InChI Key | WQVJYMNHZDVRFV-UHFFFAOYSA-N |
| MDL Number | MFCD06368763 |
| Molecular Formula | C10H9BrF2O2 |
| Molecular Weight | 279.0781 |
| SMILES | CC1=CC(C(CBr)=O)=C(OC(F)F)C=C1 |
| Synonyms | 2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethan-1-one,
795290-97-0,
2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethanone,
AC1M7Q2A,
AC1Q2HL7,
SCHEMBL2097092,
CTK5I9223,
ZINC3330566,
MFCD06368763,
AKOS008030667,
MCULE-6107019194,
NE48473,
EN300-17859,
SR-01000061005,
SR-01000061005-1,
ZINC03330566,
CID2446591,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.081g/mol |
| Monoisotopic Mass | 277.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number