Benzene, 1,2-dichloro-4-(4-((trifluoromethyl)sulfonyl)phenoxy)-

HCID 514861

Notes Reactions

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Basic information

CAS: 83642-43-7
Standard SMILES: O=S(=O)(c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F
InChIKey: GQAJAJXYXHDZLN-UHFFFAOYSA-N
Molecular formula: C13H7Cl2F3O3S
Average molar mass: 371.2 g/mol
Monoisotopic mass: 369.9445051

Names & identifiers

Preferred name: Benzene, 1,2-dichloro-4-(4-((trifluoromethyl)sulfonyl)phenoxy)-
IUPAC: 1,2-dichloro-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene

Names & synonyms

Benzene, 1,2-dichloro-4-(4-((trifluoromethyl)sulfonyl)phenoxy)-83642-43-7Benzene, 1,2-dichloro-4-[4-[(trifluoromethyl)sulfonyl]phenoxy]-CHEMBL137073SCHEMBL109525711,2-dichloro-4-[4-(trifluoromethylsulfonyl)phenoxy]benzeneDTXSID402324891,2-Dichloro-4-[4-(trifluoromethanesulfonyl)phenoxy]benzene4-(4-((Trifluoromethyl)sulfonyl)phenoxy)-1,2-dichlorobenzene

Database identifiers

CAS: 83642-43-7
PubChem CID: 514861
DTXSID: DTXSID40232489
ChEMBL: CHEMBL137073

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 470

Related reactions

3 records

New reaction record

HRID 282341As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1702827As productuspto-grants-1982_09

HRID 2164645As productuspto-grants-1985_03

Compound notes

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