3-Methylbutyl 3,7-dichloroquinoline-8-carboxylate
Basic information
- CAS
381686-77-7- Standard SMILES
CC(C)CCOC(=O)c1c(Cl)ccc2cc(Cl)cnc12- InChIKey
DLLOBDIRHFBSGL-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2NO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.0479841
Names & identifiers
- Preferred name
- 3-Methylbutyl 3,7-dichloroquinoline-8-carboxylate
- IUPAC
- 3-methylbutyl 3,7-dichloroquinoline-8-carboxylate
Names & synonyms
381686-77-7Isopentyl 3,7-dichloroquinoline-8-carboxylate3-Methylbutyl 3,7-dichloroquinoline-8-carboxylateDTXSID00514293
Database identifiers
- CAS
381686-77-7- PubChem CID
- 12979360
- DTXSID
DTXSID00514293
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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