2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid
Basic information
- CAS
97268-16-1- Standard SMILES
O=C(O)c1ccccc1C(=O)c1sc(Cl)c(Cl)c1Cl- InChIKey
LMUZDDUDVUCJON-UHFFFAOYSA-N- Molecular formula
- C12H5Cl3O3S
- Average molar mass
- 335.6 g/mol
- Monoisotopic mass
- 333.902498
Names & identifiers
- Preferred name
- 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid
- IUPAC
- 2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic acid
Names & synonyms
2-(3,4,5-trichlorothiophene-2-carbonyl)benzoic Acid97268-16-1Oprea1_6257302-[(3,4,5-Trichloro-2-thienyl)carbonyl]benzoic acidSCHEMBL4596572DTXSID001224635AKOS030506601
Database identifiers
- CAS
97268-16-1- PubChem CID
- 911779
- DTXSID
DTXSID001224635
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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