Basic information
- Standard SMILES
C#Cc1cc(Cl)ccc1OCC(=O)O- InChIKey
PMGUESVDPMMDMW-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-2-ethynylphenoxy)acetic acid
- IUPAC
- 2-(4-chloro-2-ethynylphenoxy)acetic acid
Names & synonyms
SCHEMBL1371792PMGUESVDPMMDMW-UHFFFAOYSA-N(4-chloro-2-ethynylphenoxy)acetic acid
Database identifiers
- PubChem CID
- 58522016
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
4 records
Compound notes
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