1227381-94-3
3-(3-BROMO-PYRIDIN-2-YLOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(3-BROMO-PYRIDIN-2-YLOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
pro_formulaC13 H17 Br N2 O3
1Identification
【Name】
3-(3-BROMO-PYRIDIN-2-YLOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD17012880
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H17 Br N2 O3
【pro_molWeight】
329.192
【Inchi】
InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
【InChIKey】
InChIKey=PTMREHLSIQVEMU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)Oc2c(cccn2)Br
【MOL File】
3-(3-BROMO-PYRIDIN-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(3-BROMO-PYRIDIN-2-YLOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml