| CAS Number | 1154355-35-7 |
| Catalog Number | AG01A55E |
| Chemical Name | 2-(difluoromethoxy)-5-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 2-(difluoromethoxy)-5-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H7ClF2O4S/c1-14-5-2-3-6(15-8(10)11)7(4-5)16(9,12)13/h2-4,8H,1H3 |
| InChI Key | FGKMHFBDJBWSGH-UHFFFAOYSA-N |
| MDL Number | MFCD12173418 |
| Molecular Formula | C8H7ClF2O4S |
| Molecular Weight | 272.6536 |
| SMILES | COC1=CC(S(Cl)(=O)=O)=C(OC(F)F)C=C1 |
| Synonyms | 2-(difluoromethoxy)-5-methoxybenzene-1-sulfonyl chloride,
1154355-35-7,
ZINC59266814,
NE60230,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.647g/mol |
| Monoisotopic Mass | 271.972g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number