| CAS Number | 1337606-76-4 |
| Catalog Number | AG009YDB(AGN-PC-0WAK6Y) |
| Chemical Name | 4-Bromomethyl-2,6-difluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-(bromomethyl)-2,6-difluorobenzoate |
| InChI | InChI=1S/C9H7BrF2O2/c1-14-9(13)8-6(11)2-5(4-10)3-7(8)12/h2-3H,4H2,1H3 |
| InChI Key | BFEKOTUJVAIWPK-UHFFFAOYSA-N |
| MDL Number | MFCD28148154 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | O=C(OC)C1=C(F)C=C(CBr)C=C1F |
| Synonyms | Methyl 4-(Bromomethyl)-2,6-difluorobenzoate,
1337606-76-4,
MFCD28148154,
ZINC306146037,
CS-12152,
SY038777,
MFCD28148154 (95%),
4-Bromomethyl-2,6-difluoro-benzoic acid methyl ester,
|
| Complexity | 201 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number