| CAS Number | 1309933-04-7 |
| Catalog Number | AG01FE4K(AGN-PC-3H4A11) |
| Chemical Name | Ethyl 3-bromo-2,6-difluorobenzoate |
| IUPAC Name | ethyl 3-bromo-2,6-difluorobenzoate |
| InChI | InChI=1S/C9H7BrF2O2/c1-2-14-9(13)7-6(11)4-3-5(10)8(7)12/h3-4H,2H2,1H3 |
| InChI Key | LKIQAXWEIBVROY-UHFFFAOYSA-N |
| MDL Number | MFCD18917891 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | c1(ccc(c(c1F)C(=O)OCC)F)Br |
| Synonyms | Ethyl 3-bromo-2,6-difluorobenzoate,
1309933-04-7,
MFCD18917891,
ZINC89064063,
AKOS017548067,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.054g/mol |
| Monoisotopic Mass | 263.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number