921939-08-4
1-METHYL-5-PHENOXY-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name1-METHYL-5-PHENOXY-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
pro_formulaC12 H9 F3 N2 O3
1Identification
【Name】
1-METHYL-5-PHENOXY-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06203565
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H9 F3 N2 O3
【pro_molWeight】
286.208
【Inchi】
InChI=1S/C12H9F3N2O3/c1-17-10(20-7-5-3-2-4-6-7)8(11(18)19)9(16-17)12(13,14)15/h2-6H,1H3,(H,18,19)
【InChIKey】
InChIKey=JLFWKPKAZSVCKI-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(n1)C(F)(F)F)C(=O)O)Oc2ccccc2
【MOL File】
1-METHYL-5-PHENOXY-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
1-METHYL-5-PHENOXY-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml