| CAS Number | 313681-67-3 |
| Catalog Number | AG01C4E1(AGN-PC-03Q8SD) |
| Chemical Name | 2,2-Difluoro-1,3-dioxaindane-5-sulfonyl chloride |
| IUPAC Name | 2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H3ClF2O4S/c8-15(11,12)4-1-2-5-6(3-4)14-7(9,10)13-5/h1-3H |
| InChI Key | SRKKEBOPDXVTLV-UHFFFAOYSA-N |
| MDL Number | MFCD12403831 |
| Molecular Formula | C7H3ClF2O4S |
| Molecular Weight | 256.6111 |
| SMILES | FC1(OC2=C(C=CC(S(Cl)(=O)=O)=C2)O1)F |
| Synonyms | 313681-67-3,
2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride,
2,2-difluoro-2H-1,3-benzodioxole-5-sulfonyl chloride,
SCHEMBL3534174,
SRKKEBOPDXVTLV-UHFFFAOYSA-N,
MFCD12403831,
ZINC103538534,
2,2-Difluoro-1,3-dioxaindane-5-sulfonyl chloride,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.604g/mol |
| Monoisotopic Mass | 255.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number