Basic information
- CAS
880166-08-5- Standard SMILES
O=C(O)C1(c2ccc(Cl)s2)CCC1- InChIKey
KLJJNNDNLDDJGE-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2S
- Average molar mass
- 216.68 g/mol
- Monoisotopic mass
- 216.0011784
Names & identifiers
- Preferred name
- 1-(5-Chlorothiophen-2-yl)cyclobutane-1-carboxylic acid
- IUPAC
- 1-(5-chlorothiophen-2-yl)cyclobutane-1-carboxylic acid
Names & synonyms
880166-08-51-(5-chlorothiophen-2-yl)cyclobutane-1-carboxylic acid1-(5-chlorothiophen-2-yl)cyclobutanecarboxylic acidDTXSID80705405DB-354024G88504EN300-1984763
Database identifiers
- CAS
880166-08-5- PubChem CID
- 53488043
- DTXSID
DTXSID80705405
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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