Basic information
- Standard SMILES
CCOC(=O)c1cc(Br)c2ccccc2n1- InChIKey
YFDSZKJAZGSEOD-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO2
- Average molar mass
- 280.12 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-bromoquinoline-2-carboxylate
- IUPAC
- ethyl 4-bromoquinoline-2-carboxylate
Names & synonyms
Ethyl 4-bromoquinoline-2-carboxylate476471-37-1MFCD209219802-Quinolinecarboxylic acid, 4-bromo-, ethyl esterSCHEMBL2222620YFDSZKJAZGSEOD-UHFFFAOYSA-NEthyl4-bromoquinoline-2-carboxylateAKOS022182041AB10195SB70319AS-44445DB-370400
Database identifiers
- PubChem CID
- 21992780
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
5 records
Compound notes
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