| CAS Number | 1376760-13-2 |
| Catalog Number | AG01DVYS |
| Chemical Name | Methyl 6-chloro-3-fluoro-2-methylbenzoate |
| IUPAC Name | methyl 6-chloro-3-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | XSIQLKKLCBHNJS-UHFFFAOYSA-N |
| MDL Number | MFCD28363904 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.61 |
| SMILES | COC(C1=C(Cl)C=CC(F)=C1C)=O |
| Synonyms | methyl 6-chloro-3-fluoro-2-methylbenzoate,
1376760-13-2,
SCHEMBL3696911,
XSIQLKKLCBHNJS-UHFFFAOYSA-N,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number