ethyl N-[2,2,2-trichloro-1-(3-chloro-N-hydroxyanilino)ethyl]carbamate
Basic information
- CAS
370072-37-0- Standard SMILES
CCOC(=O)NC(N(O)c1cccc(Cl)c1)C(Cl)(Cl)Cl- InChIKey
GGHPUKQPXKBPOZ-UHFFFAOYSA-N- Molecular formula
- C11H12Cl4N2O3
- Average molar mass
- 362 g/mol
- Monoisotopic mass
- 359.960203
Names & identifiers
- Preferred name
- ethyl N-[2,2,2-trichloro-1-(3-chloro-N-hydroxyanilino)ethyl]carbamate
- IUPAC
- ethyl N-[2,2,2-trichloro-1-(3-chloro-N-hydroxyanilino)ethyl]carbamate
Names & synonyms
ethyl {2,2,2-trichloro-1-[(3-chlorophenyl)(hydroxy)amino]ethyl}carbamateethyl (2,2,2-trichloro-1-((3-chlorophenyl)(hydroxy)amino)ethyl)carbamateethyl N-[2,2,2-trichloro-1-(3-chloro-N-hydroxyanilino)ethyl]carbamate370072-37-0MLS001047473CHEMBL1611025DTXSID401333539HMS2777G12STL363188AKOS022107768SMR000427874{2,2,2-Trichloro-1-[(3-chloro-phenyl)-hydroxy-amino]-ethyl}-carbamic acid ethyl ester
Database identifiers
- CAS
370072-37-0- PubChem CID
- 3661998
- DTXSID
DTXSID401333539- ChEMBL
CHEMBL1611025
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Solubility37.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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