Basic information
- CAS
67210-61-1- Standard SMILES
C[NH+]1C2CCC1CC(OC(=O)/C(=C/c1ccccc1)c1ccc(C(F)(F)F)cc1)C2.[Cl-]- InChIKey
BAZQQEHWCXMKHA-PNAHYYPNSA-N- Molecular formula
- C24H25ClF3NO2
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.1525912
Names & identifiers
- Preferred name
- Cinnamic acid, alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:1:1)
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoate chloride
Names & synonyms
67210-61-1Cinnamic acid, alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:1:1)RefChem:1081773
Database identifiers
- CAS
67210-61-1- PubChem CID
- 6435014
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…