776286-11-4
2-[2-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-ETHYL]-6-METHOXY-BENZOIC ACID METHYL ESTER
Name2-[2-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-ETHYL]-6-METHOXY-BENZOIC ACID METHYL ESTER
pro_formulaC21 H21 Cl N2 O3
1Identification
【Name】
2-[2-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-ETHYL]-6-METHOXY-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD12546805
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H21 Cl N2 O3
【pro_molWeight】
384.861
【Inchi】
InChI=1S/C21H21ClN2O3/c1-14-17(20(22)24(23-14)16-9-5-4-6-10-16)13-12-15-8-7-11-18(26-2)19(15)21(25)27-3/h4-11H,12-13H2,1-3H3
【InChIKey】
InChIKey=QFNVKXRFUSEOBH-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)c2ccccc2)Cl)CCc3cccc(c3C(=O)OC)OC
【MOL File】
2-[2-(5-CHLORO-3-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[2-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)-ETHYL]-6-METHOXY-BENZOIC ACID METHYL ESTER.cml