Basic information
- Standard SMILES
C#Cc1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2- InChIKey
XGSGQDRZXZOXAL-UHFFFAOYSA-N- Molecular formula
- C13H6ClF3O3
- Average molar mass
- 302.63 g/mol
- Monoisotopic mass
- 301.9957562
Names & identifiers
- Preferred name
- 8-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
- IUPAC
- 8-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Names & synonyms
CHEMBL12886408-chloro-6-ethynyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic AcidSCHEMBL5645617BDBM50331063
Database identifiers
- PubChem CID
- 11278070
- ChEMBL
CHEMBL1288640
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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