| CAS Number | 1352889-89-4 |
| Catalog Number | AG01F31C(AGN-PC-3H48OD) |
| Chemical Name | 4-Bromo-5-fluoro-2-methylbenzoic acid methyl ester |
| IUPAC Name | methyl 4-bromo-5-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C9H8BrFO2/c1-5-3-7(10)8(11)4-6(5)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | KVHVZAULIHMOLK-UHFFFAOYSA-N |
| MDL Number | MFCD21602050 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | CC1=CC(=C(C=C1C(=O)OC)F)Br |
| Synonyms | Methyl 4-Bromo-5-fluoro-2-methylbenzoate,
1352889-89-4,
4-Bromo-5-fluoro-2-methylbenzoic acid methyl ester,
SCHEMBL15795968,
DTXSID20719187,
KVHVZAULIHMOLK-UHFFFAOYSA-N,
MFCD21602050,
ZINC79387257,
AKOS027253042,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number