| CAS Number | 948833-74-7 |
| Catalog Number | AG00IIMS |
| Chemical Name | Methyl 3-chloro-2,4-difluorobenzoate |
| IUPAC Name | methyl 3-chloro-2,4-difluorobenzoate |
| InChI | InChI=1S/C8H5ClF2O2/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3H,1H3 |
| InChI Key | GKYHTALZVVERSW-UHFFFAOYSA-N |
| MDL Number | MFCD10566206 |
| Molecular Formula | C8H5ClF2O2 |
| Molecular Weight | 206.5739 |
| SMILES | COC(C1=C(F)C(Cl)=C(F)C=C1)=O |
| Synonyms | METHYL 3-CHLORO-2,4-DIFLUOROBENZOATE,
948833-74-7,
DTXSID90673202,
MFCD10566206,
ZINC47202262,
AKOS026672346,
NE31975,
SC-42743,
Benzoic acid, 3-chloro-2,4-difluoro-, methyl ester,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.573g/mol |
| Monoisotopic Mass | 205.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number