2-(tert-butyloxycarbonyl)-5-trifluoromethanesulfonyloxy-2,3-dihydro-1H-isoindole

HCID 18630968

Notes Reactions

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Basic information

CAS: 263888-57-9
Standard SMILES: CC(C)(C)OC(=O)N1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
InChIKey: UDHQDELXXKFIBI-UHFFFAOYSA-N
Molecular formula: C14H16F3NO5S
Average molar mass: 367.34 g/mol
Monoisotopic mass: 367.07012827

Names & identifiers

Preferred name: 2-(tert-butyloxycarbonyl)-5-trifluoromethanesulfonyloxy-2,3-dihydro-1H-isoindole
IUPAC: tert-butyl 5-(trifluoromethylsulfonyloxy)-1,3-dihydroisoindole-2-carboxylate

Names & synonyms

2-(tert-butyloxycarbonyl)-5-trifluoromethanesulfonyloxy-2,3-dihydro-1H-isoindoleSCHEMBL6188337DTXSID601121059263888-57-9tert-Butyl 5-[(trifluoromethanesulfonyl)oxy]-1,3-dihydro-2H-isoindole-2-carboxylate1,1-Dimethylethyl 1,3-dihydro-5-[[(trifluoromethyl)sulfonyl]oxy]-2H-isoindole-2-carboxylate

Database identifiers

CAS: 263888-57-9
PubChem CID: 18630968
DTXSID: DTXSID601121059

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 579

Related reactions

2 records

New reaction record

HRID 177747As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1059721As productuspto-grants-2003_02

Compound notes

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