| CAS Number | 1099632-51-5 |
| Catalog Number | AG0096Y2 |
| Chemical Name | Methyl 5-(Chlorosulfonyl)-2,4-Difluorobenzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2,4-difluorobenzoate |
| InChI | InChI=1S/C8H5ClF2O4S/c1-15-8(12)4-2-7(16(9,13)14)6(11)3-5(4)10/h2-3H,1H3 |
| InChI Key | YISREXSAILYBAW-UHFFFAOYSA-N |
| MDL Number | MFCD11650669 |
| Molecular Formula | C8H5ClF2O4S |
| Molecular Weight | 270.6377 |
| SMILES | FC1=C(S(=O)(Cl)=O)C=C(C(OC)=O)C(F)=C1 |
| Synonyms | methyl 5-(chlorosulfonyl)-2,4-difluorobenzoate,
1099632-51-5,
SCHEMBL15464809,
YISREXSAILYBAW-UHFFFAOYSA-N,
ZINC59222013,
NE50697,
EN300-74820,
Benzoic acid, 5-(chlorosulfonyl)-2,4-difluoro-, methyl ester,
5-Chlorosulfonyl-2,4-difluoro-benzoic acid methyl ester,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number