| CAS Number | 857549-83-8 |
| Catalog Number | AG01BIXK |
| Chemical Name | 2-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]isoindole-1,3-dione |
| InChI | InChI=1S/C13H9ClN2O2S/c14-5-8-7-19-11(15-8)6-16-12(17)9-3-1-2-4-10(9)13(16)18/h1-4,7H,5-6H2 |
| InChI Key | GXAMTAGCMWNSKW-UHFFFAOYSA-N |
| MDL Number | MFCD11959757 |
| Molecular Formula | C13H9ClN2O2S |
| Molecular Weight | 292.7408 |
| SMILES | ClCC1N=C(CN2C(=O)C3=C(C=CC=C3)C2=O)SC=1 |
| Synonyms | 2-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione,
857549-83-8,
ZINC32154506,
AKOS006032214,
MCULE-4528040502,
NS-04907,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.737g/mol |
| Monoisotopic Mass | 292.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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