Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2c(Br)ccc(F)c2c1CCC(=O)O- InChIKey
NELJXOWHRMTQHY-UHFFFAOYSA-N- Molecular formula
- C14H13BrFNO4
- Average molar mass
- 358.16 g/mol
- Monoisotopic mass
- 357.0012
Names & identifiers
- Preferred name
- 3-(7-Bromo-2-(ethoxycarbonyl)-4-fluoro-1h-indol-3-yl)propanoic acid
- IUPAC
- 3-(7-bromo-2-ethoxycarbonyl-4-fluoro-1H-indol-3-yl)propanoic acid
Names & synonyms
SCHEMBL4170451NELJXOWHRMTQHY-UHFFFAOYSA-N3-(7-bromo-2-(ethoxycarbonyl)-4-fluoro-1h-indol-3-yl)propanoic acid
Database identifiers
- PubChem CID
- 68941129
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
3 records
Compound notes
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