8-Quinolinecarboxylic acid, (2,4-dichlorophenyl)methyl ester
Basic information
- CAS
134959-57-2- Standard SMILES
O=C(OCc1ccc(Cl)cc1Cl)c1cccc2cccnc12- InChIKey
MMLPCEIVQASUHT-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2NO2
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.016684
Names & identifiers
- Preferred name
- 8-Quinolinecarboxylic acid, (2,4-dichlorophenyl)methyl ester
- IUPAC
- (2,4-dichlorophenyl)methyl quinoline-8-carboxylate
Names & synonyms
8-Quinolinecarboxylic acid, (2,4-dichlorophenyl)methyl ester134959-57-2CCRIS 6966(2,4-dichlorophenyl)methyl quinoline-8-carboxylateDTXSID80159161
Database identifiers
- CAS
134959-57-2- PubChem CID
- 148783
- DTXSID
DTXSID80159161- Nikkaji
- J363.953C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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