| CAS Number | 1247485-41-1 |
| Catalog Number | AG019ZC1 |
| Chemical Name | methyl 5-(chlorosulfonyl)-2,3-difluorobenzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2,3-difluorobenzoate |
| InChI | InChI=1S/C8H5ClF2O4S/c1-15-8(12)5-2-4(16(9,13)14)3-6(10)7(5)11/h2-3H,1H3 |
| InChI Key | HBMVYZJBPPMTEG-UHFFFAOYSA-N |
| MDL Number | MFCD16836302 |
| Molecular Formula | C8H5ClF2O4S |
| Molecular Weight | 270.6377 |
| SMILES | COC(C1=C(F)C(F)=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 5-(chlorosulfonyl)-2,3-difluorobenzoate,
1247485-41-1,
AKOS011954303,
ZINC100445290,
NE20148,
RP29622,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.631g/mol |
| Monoisotopic Mass | 269.957g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number