845885-81-6
2-BROMO-1-(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)-1-ETHANONE
Name2-BROMO-1-(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)-1-ETHANONE
pro_formulaC13 H9 Br F3 N O S
1Identification
【Name】
2-BROMO-1-(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)-1-ETHANONE
【CAS】
【MDL】
MFCD05664414
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H9 Br F3 N O S
【pro_molWeight】
364.184
【Inchi】
InChI=1S/C13H9BrF3NOS/c1-7-11(10(19)6-14)20-12(18-7)8-2-4-9(5-3-8)13(15,16)17/h2-5H,6H2,1H3
【InChIKey】
InChIKey=XGHUMHHAMHEPCS-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)CBr
【MOL File】
2-BROMO-1-(4-METHYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-BROMO-1-(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)-1-ETHANONE.cml