Basic information
- CAS
143746-69-4- Standard SMILES
O=C(O)c1cc(Cl)c(Cl)cc1C(=O)c1cccs1- InChIKey
XJBFTGGJFWXIKW-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2O3S
- Average molar mass
- 301.1 g/mol
- Monoisotopic mass
- 299.9414706
Names & identifiers
- Preferred name
- Benzoic acid, 4,5-dichloro-2-(2-thienylcarbonyl)-
- IUPAC
- 4,5-dichloro-2-(thiophene-2-carbonyl)benzoic acid
Names & synonyms
143746-69-4Benzoic acid, 4,5-dichloro-2-(2-thienylcarbonyl)-4,5-dichloro-2-(thiophene-2-carbonyl)benzoic AcidDTXSID10433527
Database identifiers
- CAS
143746-69-4- PubChem CID
- 9972060
- DTXSID
DTXSID10433527
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…