| CAS Number | 1379366-11-6 |
| Catalog Number | AG01ACU5 |
| Chemical Name | Methyl 4-bromo-5-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 4-bromo-5-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,1H3 |
| InChI Key | QOAMJQQYVZEHHS-UHFFFAOYSA-N |
| MDL Number | MFCD12032201 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | BrC1=CC(=C(C(=O)OC)C=C1Cl)F |
| Synonyms | methyl 4-bromo-5-chloro-2-fluorobenzoate,
1379366-11-6,
ZINC89065593,
AKOS017565811,
NE53685,
|
| 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