20242-33-5
1-PROPYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
Name1-PROPYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-PROPYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01690879
【English Synonyms】
【Formula】
C12 H15 N2 O . Br
【MolWeight】
283.168
【Inchi】
InChI=1S/C12H15N2O.BrH/c1-3-6-14-7-4-11(5-8-14)12-9-10(2)13-15-12;/h4-5,7-9H,3,6H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=VGLKHXJQMBGCCO-UHFFFAOYSA-M
【SMILES】
CCC[n+]1ccc(cc1)c2cc(no2)C.[Br-]
【MOL File】
1-PROPYL-4-(3-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PROPYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE.cml