20242-28-8
1-METHYL-4-(3-ETHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
Name1-METHYL-4-(3-ETHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
pro_formulaC11 H13 N2 O . Cl
1Identification
【Name】
1-METHYL-4-(3-ETHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01691020
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H13 N2 O . Cl
【pro_molWeight】
224.69
【Inchi】
InChI=1S/C11H13N2O.ClH/c1-3-10-8-11(14-12-10)9-4-6-13(2)7-5-9;/h4-8H,3H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=KUKIDIVHMGASSW-UHFFFAOYSA-M
【SMILES】
CCc1cc(on1)c2cc[n+](cc2)C.[Cl-]
【MOL File】
1-METHYL-4-(3-ETHYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-METHYL-4-(3-ETHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE.cml