Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
Basic information
- CAS
90483-69-5- Standard SMILES
N#CSc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1- InChIKey
KXLDJGDOFZOXQF-UHFFFAOYSA-N- Molecular formula
- C9H5Cl3N2OS
- Average molar mass
- 295.6 g/mol
- Monoisotopic mass
- 293.918817
Names & identifiers
- Preferred name
- Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
- IUPAC
- [4-[(2,2,2-trichloroacetyl)amino]phenyl] thiocyanate
Names & synonyms
90483-69-5Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl esterDTXSID709203674-(2,2,2-Trichloroacetamido)phenyl thiocyanate
Database identifiers
- CAS
90483-69-5- PubChem CID
- 185025
- DTXSID
DTXSID70920367
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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