CAS 42874-96-4 Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)- (HCID 3084880)

Substructure search Find similar structures

Basic information

CAS: 42874-96-4
Standard SMILES: Cc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIKey: CSXRLIIXUVVUTK-UHFFFAOYSA-N
Molecular formula: C14H10ClF3O
Average molar mass: 286.67 g/mol
Monoisotopic mass: 286.03722728

Names & identifiers

Preferred name: Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)-
IUPAC: 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
English name: 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
Molecular formula: C14H10ClF3O
Molecular weight: 286.68

Names & synonyms

2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene42874-96-4Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)-SCHEMBL7597428DTXSID2068426SCHEMBL112142213-(2-chloro-4-trifluoromethylphenoxy)toluene3-(2'-chloro-4'-trifluoromethylphenoxy)-toluene

Database identifiers

CAS: 42874-96-4
PubChem CID: 3084880
DTXSID: DTXSID2068426
Nikkaji: J1.584.680A

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 295

Physicochemical properties

Boiling point: 286 · 286.0±40.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
EPA Substance Registry System: 2 · Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)- (42874-96-4)