Basic information
- CAS
1261969-24-7- Standard SMILES
Cc1sccc1-c1cc(C(=O)O)ccc1Cl- InChIKey
GPNUHIMFOHCFLL-UHFFFAOYSA-N- Molecular formula
- C12H9ClO2S
- Average molar mass
- 252.72 g/mol
- Monoisotopic mass
- 252.0011784
Names & identifiers
- Preferred name
- 4-Chloro-3-(2-methylthiophen-3-yl)benzoic acid
- IUPAC
- 4-chloro-3-(2-methylthiophen-3-yl)benzoic acid
Names & synonyms
DTXSID807032444-chloro-3-(2-methylthiophen-3-yl)benzoic acid
Database identifiers
- CAS
1261969-24-7- PubChem CID
- 53445751
- DTXSID
DTXSID80703244
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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