8-Chloro-4-(2-chloro-4-fluorophenoxy)quinoline

HCID 130197

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 124495-31-4
Standard SMILES: Fc1ccc(Oc2ccnc3c(Cl)cccc23)c(Cl)c1
InChIKey: ZXLMSTBJMZJAAH-UHFFFAOYSA-N
Molecular formula: C15H8Cl2FNO
Average molar mass: 308.1 g/mol
Monoisotopic mass: 306.9966974

Names & identifiers

Preferred name: 8-Chloro-4-(2-chloro-4-fluorophenoxy)quinoline
IUPAC: 8-chloro-4-(2-chloro-4-fluorophenoxy)quinoline
English name: 8-Chloro-4-(2-chloro-4-fluorophenoxy)quinoline
Molecular formula: C15H8Cl2FNO
Molecular weight: 308.13

Names & synonyms

8-Chloro-4-(2-chloro-4-fluorophenoxy)quinoline124495-31-455XK55BBL8DTXSID10154407RefChem:107010DTXCID9076898LY214352Quinoline, 8-chloro-4-(2-chloro-4-fluorophenoxy)-LY 214352orb1986675SCHEMBL7044612ZXLMSTBJMZJAAH-UHFFFAOYSA-N

Show more names

AKOS040750002T294888-chloro-4-(2-chloro-4-fluorophenoxy) quinoline8-Chloranyl-4-(2-chloranyl-4-fluoranyl-phenoxy)quinoline

Database identifiers

CAS: 124495-31-4
PubChem CID: 130197
DTXSID: DTXSID10154407
UNII: 55XK55BBL8
Nikkaji: J783.457H

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 333

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338