20242-34-6
1-ALLYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
Name1-ALLYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
1Identification
【Name】
1-ALLYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01691430
【English Synonyms】
【Formula】
C12 H13 N2 O . Cl
【MolWeight】
236.701
【Inchi】
InChI=1S/C12H13N2O.ClH/c1-3-6-14-7-4-11(5-8-14)12-9-10(2)13-15-12;/h3-5,7-9H,1,6H2,2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=SNMAMLQEKVNFHE-UHFFFAOYSA-M
【SMILES】
Cc1cc(on1)c2cc[n+](cc2)CC=C.[Cl-]
【MOL File】
1-ALLYL-4-(3-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ALLYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM CHLORIDE.cml