| CAS Number | 1248566-14-4 |
| Catalog Number | AG01DV3O |
| Chemical Name | 1,3,3,7-tetramethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride |
| IUPAC Name | 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride |
| InChI | InChI=1S/C12H14ClNO3S/c1-7-5-8(18(13,16)17)6-9-10(7)14(4)11(15)12(9,2)3/h5-6H,1-4H3 |
| InChI Key | PGYGONAAWUTVDN-UHFFFAOYSA-N |
| MDL Number | MFCD17265869 |
| Molecular Formula | C12H14ClNO3S |
| Molecular Weight | 287.7625 |
| SMILES | O=S(C1=CC2=C(N(C)C(C2(C)C)=O)C(C)=C1)(Cl)=O |
| Synonyms | ZINC101477249,
1,3,3,7-tetramethyl-2-oxo-indoline-5-sulfonyl chloride,
1,3,3,7-tetramethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride,
1248566-14-4,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.758g/mol |
| Monoisotopic Mass | 287.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Lot Number