3-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride
Basic information
- CAS
73728-80-0- Standard SMILES
CC(C)[NH+](CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O)C(C)C.[Cl-]- InChIKey
DVVKFFLFPWILNJ-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2NO3
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.1367991
Names & identifiers
- Preferred name
- 3-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride
Names & synonyms
NSC 74593-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride5-Chloro-2-hydroxy-3-biphenylcarboxylic acid 2-(diisopropylamino)ethyl ester hydrochloride73728-80-0(1,1'-Biphenyl)-3-carboxylic acid, 5-chloro-2-hydroxy-, 2-(bis(1-methylethyl)amino)ethyl ester, hydrochlorideRefChem:277128(1,1'-Biphenyl)-3-carboxylic acid, 5-chloro-2-hydroxy-, 2-(bis(1-methylethyl)amino)ethyl ester, hydrochloride (9CI)
Database identifiers
- CAS
73728-80-0- PubChem CID
- 52332
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…