Basic information
- CAS
329912-91-6- Standard SMILES
CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2- InChIKey
MNJNPLVXBISNSX-UHFFFAOYSA-N- Molecular formula
- C15H17Cl2NO2
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 313.0636342
Overview
3,5-dichlorobenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester is a benzoate ester.
Names & identifiers
- Preferred name
- 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dichlorobenzoate
Names & synonyms
329912-91-6DTXSID308605788-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL 3,5-DICHLOROBENZOATERefChem:1074752DTXCID40209838MDL 722223-Tropanyl-3,5-dichlorobenzoate40796-97-2MDL-72222CHEMBL3763798-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate hydrochloride
Show more names
SR-01000075587NCGC00016058-058-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoateBiomol-NT_000097Lopac0_001222Oprea1_086056BPBio1_001358SCHEMBL5790539
Database identifiers
- CAS
329912-91-6- PubChem CID
- 1683
- DTXSID
DTXSID30860578- ChEMBL
CHEMBL376379- ChEBI
CHEBI:91931- Nikkaji
- J371.919G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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