Atropic acid, 2',6'-dichloro-, 3-tropanyl ester, hydrochloride
Basic information
- CAS
64048-75-5- Standard SMILES
C=C(C(=O)OC1CC2CCC(C1)[NH+]2C)c1c(Cl)cccc1Cl.[Cl-]- InChIKey
IAJHGYYJSAKQFW-UHFFFAOYSA-N- Molecular formula
- C17H20Cl3NO2
- Average molar mass
- 376.7 g/mol
- Monoisotopic mass
- 375.055962
Names & identifiers
- Preferred name
- Atropic acid, 2',6'-dichloro-, 3-tropanyl ester, hydrochloride
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(2,6-dichlorophenyl)prop-2-enoate chloride
Names & synonyms
3-Tropanyl 2',6'-dichloroatropate hydrochloride2',6'-Dichloroatropic acid, 3-tropanyl ester, hydrochloride64048-75-5ATROPIC ACID, 2',6'-DICHLORO-, 3-TROPANYL ESTER, HYDROCHLORIDERefChem:320244
Database identifiers
- CAS
64048-75-5- PubChem CID
- 46816
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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