| CAS Number | 537658-08-5 |
| Catalog Number | AG01FE0E(AGN-PC-03MUWF) |
| Chemical Name | methyl 3,5-dibromo-2-fluorobenzoate |
| IUPAC Name | methyl 3,5-dibromo-2-fluorobenzoate |
| InChI | InChI=1S/C8H5Br2FO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3 |
| InChI Key | OAMPEHQIFCXOLY-UHFFFAOYSA-N |
| MDL Number | MFCD06204166 |
| Molecular Formula | C8H5Br2FO2 |
| Molecular Weight | 311.9305 |
| SMILES | C1(C=C(Br)C=C(Br)C=1F)C(=O)OC |
| Synonyms | Methyl 3,5-dibromo-2-fluorobenzoate,
537658-08-5,
SCHEMBL5853128,
OAMPEHQIFCXOLY-UHFFFAOYSA-N,
AKOS017560762,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.932g/mol |
| Monoisotopic Mass | 309.864g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number