20242-36-8
1-CYCLOPROPYLMETHYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
Name1-CYCLOPROPYLMETHYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-CYCLOPROPYLMETHYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691266
【English Synonyms】
【Formula】
C13 H15 N2 O . Br
【MolWeight】
295.178
【Inchi】
InChI=1S/C13H15N2O.BrH/c1-10-8-13(16-14-10)12-4-6-15(7-5-12)9-11-2-3-11;/h4-8,11H,2-3,9H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=MHSDCECGDFELAS-UHFFFAOYSA-M
【SMILES】
Cc1cc(on1)c2cc[n+](cc2)CC3CC3.[Br-]
【MOL File】
1-CYCLOPROPYLMETHYL-….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-CYCLOPROPYLMETHYL-4-(3-METHYL-5-ISOXAZOLYL)PYRIDINIUM BROMIDE.cml