| CAS Number | 87473-88-9 |
| Catalog Number | AG004I79(AGN-PC-03Q8SH) |
| Chemical Name | Benzo[d][1,3]dioxole-4-sulfonyl chloride |
| IUPAC Name | 1,3-benzodioxole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H5ClO4S/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5/h1-3H,4H2 |
| InChI Key | KLOJIPJDBCSTTI-UHFFFAOYSA-N |
| MDL Number | MFCD18382007 |
| Molecular Formula | C7H5ClO4S |
| Molecular Weight | 220.6302 |
| SMILES | ClS(C1=C2C(OCO2)=CC=C1)(=O)=O |
| Synonyms | 87473-88-9,
1,3-Benzodioxole-4-sulfonyl chloride,
2H-1,3-Benzodioxole-4-sulfonyl chloride,
Benzo[d][1,3]dioxole-4-sulfonyl chloride,
SCHEMBL464779,
CTK3C3684,
DTXSID50626274,
AKOS006333402,
ZINC100220236,
Z1962166045,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.623g/mol |
| Monoisotopic Mass | 219.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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