| CAS Number | 1048970-15-5 |
| Catalog Number | AG0085JC(AGN-PC-0WOWXW) |
| Chemical Name | chroman-8-sulfonyl chloride |
| IUPAC Name | 3,4-dihydro-2H-chromene-8-sulfonyl chloride |
| InChI | InChI=1S/C9H9ClO3S/c10-14(11,12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5H,2,4,6H2 |
| InChI Key | ICMATZNLBWDEAR-UHFFFAOYSA-N |
| MDL Number | MFCD12198124 |
| Molecular Formula | C9H9ClO3S |
| Molecular Weight | 232.6840 |
| SMILES | ClS(C1=C2C(CCCO2)=CC=C1)(=O)=O |
| Synonyms | chroman-8-sulfonyl chloride,
1048970-15-5,
3,4-dihydro-2H-1-benzopyran-8-sulfonyl chloride,
chlorochroman-8-ylsulfone,
chromane-8-sulfonyl chloride,
SCHEMBL15300130,
CTK4A3453,
DTXSID80670705,
ICMATZNLBWDEAR-UHFFFAOYSA-N,
SBB097997,
AKOS006335493,
ZINC100062831,
DB-059219,
FT-0716836,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.678g/mol |
| Monoisotopic Mass | 231.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number