Basic information
- Standard SMILES
C#Cc1cc(Cl)ccc1OCC(=O)OC(C)(C)C- InChIKey
IEHQWPOTWFEYQW-UHFFFAOYSA-N- Molecular formula
- C14H15ClO3
- Average molar mass
- 266.72 g/mol
Names & identifiers
- Preferred name
- Tert-butyl(4-chloro-2-ethynylphenoxy)acetate
- IUPAC
- tert-butyl 2-(4-chloro-2-ethynylphenoxy)acetate
Names & synonyms
tert-butyl 2-(4-chloro-2-ethynylphenoxy)acetateSCHEMBL1371045IEHQWPOTWFEYQW-UHFFFAOYSA-N1240286-83-2tert-butyl(4-chloro-2-ethynylphenoxy)acetateA1-51943
Database identifiers
- PubChem CID
- 56594381
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
110 records
Compound notes
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