| CAS Number | 1805112-73-5 |
| Catalog Number | AG01DMJL |
| Chemical Name | Methyl 2-chloro-5-fluoro-3-methylbenzoate |
| IUPAC Name | methyl 2-chloro-5-fluoro-3-methylbenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-5-3-6(11)4-7(8(5)10)9(12)13-2/h3-4H,1-2H3 |
| InChI Key | KOWDYLBNZKLGDP-UHFFFAOYSA-N |
| MDL Number | MFCD28751879 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | O=C(OC)C1=CC(F)=CC(=C1Cl)C |
| Synonyms | Methyl 2-chloro-5-fluoro-3-methylbenzoate,
1805112-73-5,
MFCD28751879,
AKOS027425757,
ZINC306937126,
AS-43935,
|
| 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