| CAS Number | 1160574-59-3 |
| Catalog Number | AG00L76W(AGN-PC-3H455P) |
| Chemical Name | Methyl 3,4-dibromo-5-fluorobenzoate |
| IUPAC Name | methyl 3,4-dibromo-5-fluorobenzoate |
| InChI | InChI=1S/C8H5Br2FO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,1H3 |
| InChI Key | ZUGVWVIIXVUUPI-UHFFFAOYSA-N |
| MDL Number | MFCD11846085 |
| Molecular Formula | C8H5Br2FO2 |
| Molecular Weight | 311.9305 |
| SMILES | C(OC)(=O)C1=CC(Br)=C(Br)C(F)=C1 |
| Synonyms | Methyl 3,4-Dibromo-5-fluorobenzoate,
1160574-59-3,
ZINC36532931,
AKOS017562009,
|
| 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