99267-18-2
2-METHYL-3-PHENYLBENZYL-3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL)2,2-DIMETHYL CYCLOPANECARBOXYLATE
Name2-METHYL-3-PHENYLBENZYL-3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL)2,2-DIMETHYL CYCLOPANECARBOXYLATE
pro_formulaC23 H22 Cl F3 O
1Identification
【Name】
2-METHYL-3-PHENYLBENZYL-3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL)2,2-DIMETHYL CYCLOPANECARBOXYLATE
【CAS】
【MDL】
MFCD09029181
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H22 Cl F3 O
【pro_molWeight】
406.873
【Inchi】
InChI=1S/C23H22ClF3O/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)12-19(28)21-18(22(21,2)3)13-20(24)23(25,26)27/h4-11,13,18,21H,12H2,1-3H3/b20-13+
【InChIKey】
InChIKey=URDFVRKNOVHDTP-DEDYPNTBSA-N
【SMILES】
Cc1c(cccc1c2ccccc2)CC(=O)C3C(C3(C)C)/C=C(\C(F)(F)F)/Cl
【MOL File】
2-METHYL-3-PHENYLBEN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:1
XLogP3:7.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-METHYL-3-PHENYLBENZYL-3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL)2,2-DIMETHYL CYCLOPANECARBOXYLATE.cml