2,3,4-Trichloro-6-(2,4-dichlorophenoxy)aniline

HCID 47446

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Basic information

CAS: 64630-64-4
Standard SMILES: Nc1c(Oc2ccc(Cl)cc2Cl)cc(Cl)c(Cl)c1Cl
InChIKey: VSHUWGXIMAIKGQ-UHFFFAOYSA-N
Molecular formula: C12H6Cl5NO
Average molar mass: 357.4 g/mol
Monoisotopic mass: 354.889202

Names & identifiers

Preferred name: 2,3,4-Trichloro-6-(2,4-dichlorophenoxy)aniline
IUPAC: 2,3,4-trichloro-6-(2,4-dichlorophenoxy)aniline

Names & synonyms

2,3,4-trichloro-6-(2,4-dichlorophenoxy)aniline64630-64-4Benzenamine, 2,3,4-trichloro-6-(2,4-dichlorophenoxy)-2,3,4-Trichloro-6-(2,4-dichlorophenoxy)benzenamineDTXSID40214881DGC66707

Database identifiers

CAS: 64630-64-4
PubChem CID: 47446
DTXSID: DTXSID40214881
Nikkaji: J1.623.614D

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 308

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