| CAS Number | 61565-36-4 |
| Catalog Number | AG019LI3(AGN-PC-002N73) |
| Chemical Name | 1-oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride |
| IUPAC Name | 1-oxo-2,3-dihydroindene-5-sulfonyl chloride |
| InChI | InChI=1S/C9H7ClO3S/c10-14(12,13)7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2 |
| InChI Key | NJSUBYHQKUOESQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971459 |
| Molecular Formula | C9H7ClO3S |
| Molecular Weight | 230.6681 |
| SMILES | ClS(C1=CC2=C(C(CC2)=O)C=C1)(=O)=O |
| Synonyms | 1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride,
61565-36-4,
1-oxoindane-5-sulfonyl chloride,
1H-Indene-5-sulfonyl chloride, 2,3-dihydro-1-oxo-,
AC1Q3VM9,
SCHEMBL8318207,
CTK2D7283,
DTXSID60564350,
MFCD09971459,
AKOS009167257,
ZINC100568142,
AS-43811,
EN300-31329,
1-Oxo-2,3-dihydro-1H-indene-5-sulfonic acid chloride,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.662g/mol |
| Monoisotopic Mass | 229.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number