| CAS Number | 1537548-66-5 |
| Catalog Number | AG01AM2F |
| Chemical Name | Methyl 2-bromo-3-chloro-5-fluorobenzoate |
| IUPAC Name | methyl 2-bromo-3-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)5-2-4(11)3-6(10)7(5)9/h2-3H,1H3 |
| InChI Key | QTHQQIXMCZWABA-UHFFFAOYSA-N |
| MDL Number | MFCD24108538 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | O=C(OC)C1=CC(F)=CC(Cl)=C1Br |
| Synonyms | methyl 2-bromo-3-chloro-5-fluorobenzoate,
1537548-66-5,
AKOS020024135,
ZINC162709866,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.478g/mol |
| Monoisotopic Mass | 265.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number