67643-43-0
6,8-DIBROMO-4-HYDROXY-5-METHYL-3-QUINOLINECARBONITRILE
Name6,8-DIBROMO-4-HYDROXY-5-METHYL-3-QUINOLINECARBONITRILE
1Identification
【Name】
6,8-DIBROMO-4-HYDROXY-5-METHYL-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD13181149
【English Synonyms】
【Formula】
C11 H6 Br2 N2 O
【MolWeight】
341.989
【Inchi】
InChI=1S/C11H6Br2N2O/c1-5-7(12)2-8(13)10-9(5)11(16)6(3-14)4-15-10/h2,4H,1H3,(H,15,16)
【InChIKey】
InChIKey=CHYUXOMQMPNCSK-UHFFFAOYSA-N
【SMILES】
Cc1c(cc(c2c1c(c(cn2)C#N)O)Br)Br
【MOL File】
6,8-DIBROMO-4-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,8-DIBROMO-4-HYDROXY-5-METHYL-3-QUINOLINECARBONITRILE.cml