| CAS Number | 1522125-32-1 |
| Catalog Number | AG01BDLB(AGN-PC-0WOZIW) |
| Chemical Name | Methyl 3,5-dichloro-2-fluorobenzoate |
| IUPAC Name | methyl 3,5-dichloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H5Cl2FO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3 |
| InChI Key | XNZBOSWQYVTGLM-UHFFFAOYSA-N |
| MDL Number | MFCD24108551 |
| Molecular Formula | C8H5Cl2FO2 |
| Molecular Weight | 223.0285 |
| SMILES | c1c(cc(c(c1Cl)F)C(=O)OC)Cl |
| Synonyms | Methyl 3,5-dichloro-2-fluorobenzoate,
1522125-32-1,
MFCD24108551,
ZINC75914924,
AKOS020024672,
AJ-122101,
Z1993522644,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.024g/mol |
| Monoisotopic Mass | 221.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number