| CAS Number | 1315368-12-7 |
| Catalog Number | AG01AJ4X |
| Chemical Name | 1-Cyclopropanecarbonyl-2,3-Dihydro-1H-Indole-6-Sulfonyl Chloride |
| IUPAC Name | 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride |
| InChI | InChI=1S/C12H12ClNO3S/c13-18(16,17)10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6H2 |
| InChI Key | BRALMLGAKSIYOS-UHFFFAOYSA-N |
| MDL Number | MFCD19382066 |
| Molecular Formula | C12H12ClNO3S |
| Molecular Weight | 285.7466 |
| SMILES | O=S(C1=CC2=C(C=C1)CCN2C(C3CC3)=O)(Cl)=O |
| Synonyms | 1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-6-sulfonyl chloride,
EN300-79786,
1315368-12-7,
ZINC100635110,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.742g/mol |
| Monoisotopic Mass | 285.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number