9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)-
Basic information
- CAS
125736-15-4- Standard SMILES
CC(C)(C)OC(=O)N1C2CCC=C(C(=O)Cl)[C@H]1CC2- InChIKey
BPRKKWMWEZXYBK-HCCKASOXSA-N- Molecular formula
- C14H20ClNO3
- Average molar mass
- 285.76 g/mol
- Monoisotopic mass
- 285.1131712
Names & identifiers
- Preferred name
- 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)-
- IUPAC
- tert-butyl (1R)-2-carbonochloridoyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Names & synonyms
125736-15-49-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)-DTXSID70925251tert-Butyl 2-(chlorocarbonyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylatetert-butyl (1R)-2-(chlorocarbonyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Database identifiers
- CAS
125736-15-4- PubChem CID
- 180355
- DTXSID
DTXSID70925251
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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