6299-99-6
3-BROMO-1-(2-OXO-2-PHENYL-ETHYL)-PYRIDINIUM, BROMIDE
Name3-BROMO-1-(2-OXO-2-PHENYL-ETHYL)-PYRIDINIUM, BROMIDE
FormulaC13 H11 Br N O . Br
1Identification
【Name】
3-BROMO-1-(2-OXO-2-PHENYL-ETHYL)-PYRIDINIUM, BROMIDE
【CAS】
【MDL】
MFCD00186862
【English Synonyms】
【Formula】
C13 H11 Br N O . Br
【MolWeight】
357.044
【Inchi】
InChI=1S/C13H11BrNO.BrH/c14-12-7-4-8-15(9-12)10-13(16)11-5-2-1-3-6-11;/h1-9H,10H2;1H/q+1;/p-1
【InChIKey】
InChIKey=AFYRJVNBVNIJBU-UHFFFAOYSA-M
【SMILES】
c1ccc(cc1)C(=O)C[n+]2cccc(c2)Br.[Br-]
【MOL File】
3-BROMO-1-(2-OXO-2-P….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-BROMO-1-(2-OXO-2-PHENYL-ETHYL)-PYRIDINIUM, BROMIDE.cml