| CAS Number | 1183437-92-4 |
| Catalog Number | AG019W5D |
| Chemical Name | 7-(chlorosulfonyl)-2,3-dihydro-1H-indene-5-carboxylic acid |
| IUPAC Name | 7-chlorosulfonyl-2,3-dihydro-1H-indene-5-carboxylic acid |
| InChI | InChI=1S/C10H9ClO4S/c11-16(14,15)9-5-7(10(12)13)4-6-2-1-3-8(6)9/h4-5H,1-3H2,(H,12,13) |
| InChI Key | WUAURUXLBQZWSG-UHFFFAOYSA-N |
| MDL Number | MFCD12912871 |
| Molecular Formula | C10H9ClO4S |
| Molecular Weight | 260.6941 |
| SMILES | OC(C1=CC(S(Cl)(=O)=O)=C2C(CCC2)=C1)=O |
| Synonyms | 7-(chlorosulfonyl)-2,3-dihydro-1H-indene-5-carboxylic acid,
1183437-92-4,
AC1Q72SQ,
CTK7I7474,
AKOS009997061,
ZINC100586419,
MCULE-7063959719,
NE32378,
EN300-50582,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.688g/mol |
| Monoisotopic Mass | 259.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number