Basic information
- CAS
6310-29-8- Standard SMILES
CCN(CC)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O- InChIKey
ATTUJSZFVYBJDS-UHFFFAOYSA-N- Molecular formula
- C12H11Cl4NO3
- Average molar mass
- 359 g/mol
- Monoisotopic mass
- 356.949304
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-(diethylcarbamoyl)benzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-(diethylcarbamoyl)benzoic acid
- English name
- 2,3,4,5-tetrachloro-6-(diethylcarbamoyl)benzoic acid
- Molecular formula
- C12H11Cl4NO3
- Molecular weight
- 359.03
Names & synonyms
6310-29-82,3,4,5-tetrachloro-6-(diethylcarbamoyl)benzoic acidNSC41559DTXSID90285369NSC-41559tetrachloro-NN-diethylphthalamic acidBenzoic acid, 2,3,4,5-tetrachloro-6-[(diethylamino)carbonyl]-
Database identifiers
- CAS
6310-29-8- PubChem CID
- 237759
- DTXSID
DTXSID90285369
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 533.4 · 533.4±50.0 °C(Predicted)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- 1.26 · 1.26±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…