Basic information
- Standard SMILES
CC(C)(C)c1cc(Cl)sc1C(=O)O- InChIKey
FFZCICWTCAHWSZ-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S
- Average molar mass
- 218.7 g/mol
Names & identifiers
- Preferred name
- Tert.-butyl 5-chloro-thiophene-2-carboxylic acid
- IUPAC
- 3-tert-butyl-5-chlorothiophene-2-carboxylic acid
Names & synonyms
SCHEMBL3424718FFZCICWTCAHWSZ-UHFFFAOYSA-Ntert.-butyl 5-chloro-thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 68637263
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
1 records
Compound notes
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