Ethyl 4-bromo-8-(trifluoromethyl)quinoline-3-carboxylate
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Basic information
- CAS
1242260-78-1- Standard SMILES
CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Br- InChIKey
YWZWYHFIEFPXEN-UHFFFAOYSA-N- Molecular formula
- C13H9BrF3NO2
- Average molar mass
- 348.11 g/mol
- Monoisotopic mass
- 346.97688
Names & identifiers
- Preferred name
- Ethyl 4-bromo-8-(trifluoromethyl)quinoline-3-carboxylate
- IUPAC
- ethyl 4-bromo-8-(trifluoromethyl)quinoline-3-carboxylate
- English name
- 4-Bromo-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C13H9BrF3NO2
- Molecular weight
- 348.1152696
Names & synonyms
1242260-78-1ethyl 4-bromo-8-(trifluoromethyl)quinoline-3-carboxylateDTXSID40677917SB72829ethyl4-bromo-8-(trifluoromethyl)quinoline-3-carboxylate4-Bromo-8-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester4-Bromo-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester
Database identifiers
- CAS
1242260-78-1- PubChem CID
- 49758166
- DTXSID
DTXSID40677917
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
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Compound notes
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