| CAS Number | 173669-61-9 |
| Catalog Number | AG019YVT(AGN-PC-0WO1K6) |
| Chemical Name | 1-methylindoline-6-sulfonyl chloride |
| IUPAC Name | 1-methyl-2,3-dihydroindole-6-sulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO2S/c1-11-5-4-7-2-3-8(6-9(7)11)14(10,12)13/h2-3,6H,4-5H2,1H3 |
| InChI Key | ORDYBOFQRJTHRV-UHFFFAOYSA-N |
| MDL Number | MFCD19200121 |
| Molecular Formula | C9H10ClNO2S |
| Molecular Weight | 231.6992 |
| SMILES | CN1C2=C(C=CC(S(Cl)(=O)=O)=C2)CC1 |
| Synonyms | 1-methyl-2,3-dihydro-1H-indole-6-sulfonyl chloride,
173669-61-9,
RP27981,
Z1962221066,
1-methylindoline-6-sulfonyl chloride,
SCHEMBL3128006,
1H-Indole-6-sulfonyl chloride, 2,3-dihydro-1-methyl-,
ORDYBOFQRJTHRV-UHFFFAOYSA-N,
1-methyl indoline-6-sulfonyl chloride,
AKOS006333940,
ZINC100442698,
NE40439,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.694g/mol |
| Monoisotopic Mass | 231.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number