Basic information
- Standard SMILES
Nc1cc(Cl)c(Cl)cc1Cl.O=S(=O)(O)O- InChIKey
CVUOYSOVLFKCTE-UHFFFAOYSA-N- Molecular formula
- C6H6Cl3NO4S
- Average molar mass
- 294.5 g/mol
Names & identifiers
- Preferred name
- 2,4,5-Trichloroaniline sulfate
- IUPAC
- sulfuric acid;2,4,5-trichloroaniline
Names & synonyms
2,4,5-trichloroaniline sulfateSCHEMBL11242497CVUOYSOVLFKCTE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 70545348
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
2 records
Compound notes
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