877399-08-1
3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE
Name3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE
pro_formulaC19 H22 B Cl2 F N2 O3
1Identification
【Name】
3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE
【CAS】
【MDL】
MFCD17677105
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H22 B Cl2 F N2 O3
【pro_molWeight】
427.109
【Inchi】
InChI=1S/C19H22BCl2FN2O3/c1-10(15-12(21)6-7-13(23)16(15)22)26-14-8-11(9-25-17(14)24)20-27-18(2,3)19(4,5)28-20/h6-10H,1-5H3,(H2,24,25)
【InChIKey】
InChIKey=GIXNNVOMGTZNCH-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N)OC(C)c3c(ccc(c3Cl)F)Cl
【MOL File】
3-(1-(2,6-DICHLORO-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE.cml