680214-53-3
DIPHENYL [(3-CHLOROPHENYL)(([2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)METHYL]PHOSPHONATE
NameDIPHENYL [(3-CHLOROPHENYL)(([2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)METHYL]PHOSPHONATE
pro_formulaC27 H20 Cl2 F3 N2 O3 P S
1Identification
【Name】
DIPHENYL [(3-CHLOROPHENYL)(([2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)METHYL]PHOSPHONATE
【CAS】
【MDL】
MFCD00204204
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H20 Cl2 F3 N2 O3 P S
【pro_molWeight】
611.406
【Inchi】
InChI=1S/C27H20Cl2F3N2O3PS/c28-20-9-7-8-18(16-20)25(34-26(39)33-24-17-19(27(30,31)32)14-15-23(24)29)38(35,36-21-10-3-1-4-11-21)37-22-12-5-2-6-13-22/h1-17,25H,(H2,33,34,39)
【InChIKey】
InChIKey=YBRFOKITFYDAGC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OP(=O)(C(c2cccc(c2)Cl)NC(=S)Nc3cc(ccc3Cl)C(F)(F)F)Oc4ccccc4
【MOL File】
DIPHENYL [(3-CHLOROP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
DIPHENYL [(3-CHLOROPHENYL)(([2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)METHYL]PHOSPHONATE.cml