| CAS Number | 127168-77-8 |
| Catalog Number | AG00HRNB |
| Chemical Name | 5-Chloro-2-tosylisoindoline |
| IUPAC Name | 5-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole |
| InChI | InChI=1S/C15H14ClNO2S/c1-11-2-6-15(7-3-11)20(18,19)17-9-12-4-5-14(16)8-13(12)10-17/h2-8H,9-10H2,1H3 |
| InChI Key | VXGIDBYTECOSJQ-UHFFFAOYSA-N |
| MDL Number | MFCD14582958 |
| Molecular Formula | C15H14ClNO2S |
| Molecular Weight | 307.7952 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N1CC2=C(C1)C=C(Cl)C=C2 |
| Synonyms | 5-Chloro-2-tosylisoindoline,
127168-77-8,
5-Chloro-2-[(4-methylphenyl)sulfonyl]isoindoline,
SCHEMBL382362,
VXGIDBYTECOSJQ-UHFFFAOYSA-N,
MFCD14582958,
ZINC34491946,
AKOS027251178,
2-(p-toluensulfonyl)-5-chloroisoindoline,
AS-44930,
2-(p-toluenesulfonyl)-5-chloroisoindoline,
2-(p-toluensulphonyl)-5-chloroisoindoline,
2-(p-toluenesulphonyl)-5-chloroisoindoline,
FT-0729746,
5-Chloro-2-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole,
5-Chloro-2-(toluene-4-sulphonyl)-2,3-dihydro-1H-isoindole,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.792g/mol |
| Monoisotopic Mass | 307.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number