| CAS Number | 879562-21-7 |
| Catalog Number | AG01EY5H(AGN-PC-02MNGT) |
| Chemical Name | 1-Cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonyl chloride |
| IUPAC Name | 1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonyl chloride |
| InChI | InChI=1S/C12H12ClNO3S/c13-18(16,17)10-3-4-11-9(7-10)5-6-14(11)12(15)8-1-2-8/h3-4,7-8H,1-2,5-6H2 |
| InChI Key | QZQRQRONDFXNPD-UHFFFAOYSA-N |
| MDL Number | MFCD08687522 |
| Molecular Formula | C12H12ClNO3S |
| Molecular Weight | 285.7466 |
| SMILES | O=S(C1=CC2=C(N(C(C3CC3)=O)CC2)C=C1)(Cl)=O |
| Synonyms | 1-Cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonyl chloride,
879562-21-7,
1-(Cyclopropanecarbonyl)indoline-5-sulfonyl chloride,
SCHEMBL14056278,
CTK7G2979,
QZQRQRONDFXNPD-UHFFFAOYSA-N,
ZINC59103801,
AKOS000301887,
MCULE-3783008561,
TR-045799,
BB 0217915,
ST50342046,
5-(chlorosulfonyl)indolinyl cyclopropyl ketone,
Z-0450,
1-(Cyclopropylcarbonyl)-5-indolinesulfonyl chloride, AldrichCPR,
1-cyclopropanecarbonyl-2,3-dihydroindole-5-sulfonyl chloride,
|
| 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