| CAS Number | 1845038-93-8 |
| Catalog Number | AG01DZ4B |
| Chemical Name | (3ar,7as)-octahydro-1h-isoindole-2-carbonyl chloride |
| IUPAC Name | (3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl chloride |
| InChI | InChI=1S/C9H14ClNO/c10-9(12)11-5-7-3-1-2-4-8(7)6-11/h7-8H,1-6H2/t7-,8+ |
| InChI Key | NGKKGRHSYZDOBJ-OCAPTIKFSA-N |
| MDL Number | MFCD31665134 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | ClC(N1C[C@H]2[C@H](CCCC2)C1)=O |
| Synonyms | rac-(3aR,7aS)-octahydro-1H-isoindole-2-carbonyl chloride, cis,
1845038-93-8,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076392g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.66g/mol |
| Monoisotopic Mass | 187.076392g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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