76337-69-4
3-METHYL-1-(2-OXO-2-P-TOLYL-ETHYL)-PYRIDINIUM, BROMIDE
Name3-METHYL-1-(2-OXO-2-P-TOLYL-ETHYL)-PYRIDINIUM, BROMIDE
1Identification
【Name】
3-METHYL-1-(2-OXO-2-P-TOLYL-ETHYL)-PYRIDINIUM, BROMIDE
【CAS】
【MDL】
MFCD00186856
【English Synonyms】
【Formula】
C15 H16 N O . Br
【MolWeight】
306.201
【Inchi】
InChI=1S/C15H16NO.BrH/c1-12-5-7-14(8-6-12)15(17)11-16-9-3-4-13(2)10-16;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=CTXIDZFMPTYUPK-UHFFFAOYSA-M
【SMILES】
Cc1ccc(cc1)C(=O)C[n+]2cccc(c2)C.[Br-]
【MOL File】
3-METHYL-1-(2-OXO-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(2-OXO-2-P-TOLYL-ETHYL)-PYRIDINIUM, BROMIDE.cml