Basic information
- CAS
64048-71-1- Standard SMILES
C=C(C(=O)OC1CC2CCC(C1)[NH+]2C)c1ccc(Br)cc1.[Cl-]- InChIKey
LCIGZLBQNNATGD-UHFFFAOYSA-N- Molecular formula
- C17H21BrClNO2
- Average molar mass
- 386.7 g/mol
- Monoisotopic mass
- 385.04442
Names & identifiers
- Preferred name
- Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride
Names & synonyms
3-Tropanyl 4'-bromoatropate hydrochloride4'-Bromoatropic acid, 3-tropanyl ester, hydrochlorideATROPIC ACID, 4'-BROMO-, 3-TROPANYL ESTER, HYDROCHLORIDE64048-71-1RefChem:320247
Database identifiers
- CAS
64048-71-1- PubChem CID
- 46808
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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