141079-14-3
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
Name4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
FormulaC21 H14 Cl F2 N3 O
1Identification
【Name】
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678681
【English Synonyms】
【Formula】
C21 H14 Cl F2 N3 O
【MolWeight】
397.811
【Inchi】
InChI=1S/C21H14ClF2N3O/c22-18-12-16(10-11-19(18)24)27-20(13-28-17-4-2-1-3-5-17)25-26-21(27)14-6-8-15(23)9-7-14/h1-12H,13H2
【InChIKey】
InChIKey=WCSGQJGQMHZRPC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OCc2nnc(n2c3ccc(c(c3)Cl)F)c4ccc(cc4)F
【MOL File】
4-(3-CHLORO-4-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-FLUOROPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE.cml