| CAS Number | 955887-09-9 |
| Catalog Number | AG005ZPS(AGN-PC-0W55Z3) |
| Chemical Name | tert-Butyl 4-bromo-2,6-difluorobenzoate |
| IUPAC Name | tert-butyl 4-bromo-2,6-difluorobenzoate |
| InChI | InChI=1S/C11H11BrF2O2/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5H,1-3H3 |
| InChI Key | KKTKGKORENKLNV-UHFFFAOYSA-N |
| MDL Number | MFCD08703422 |
| Molecular Formula | C11H11BrF2O2 |
| Molecular Weight | 293.1046 |
| SMILES | CC(C)(C)OC(=O)c1c(cc(cc1F)Br)F |
| Synonyms | TERT-BUTYL 4-BROMO-2,6-DIFLUOROBENZOATE,
955887-09-9,
SCHEMBL643173,
CTK5H7867,
DTXSID70700585,
KKTKGKORENKLNV-UHFFFAOYSA-N,
ZINC89065115,
AKOS017559296,
AK323512,
SC-59826,
tert-butyl 4-bromo-2,6-difluoro-benzoate,
AX8152915,
2,6-Difluoro-4-bromobenzoic acid tert-butyl ester,
4-bromo-2,6-difluoro-benzoic acid tert-butyl ester,
TERT-BUTYL4-BROMO-2,6-DIFLUOROBENZOATE,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.108g/mol |
| Monoisotopic Mass | 291.991g/mol |
| Rotatable Bond Count | 3 |
| 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
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Certificate of Analysis
Lot Number