578718-42-0
2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL
Name2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL
FormulaC16 H12 Br F N4 O2 S
1Identification
【Name】
2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL
【CAS】
【MDL】
MFCD04029446
【English Synonyms】
【Formula】
C16 H12 Br F N4 O2 S
【MolWeight】
423.265
【Inchi】
InChI=1S/C16H12BrFN4O2S/c1-24-13-7-9(6-12(17)14(13)23)8-19-22-15(20-21-16(22)25)10-2-4-11(18)5-3-10/h2-8,23H,1H3,(H,21,25)/b19-8+
【InChIKey】
InChIKey=YZROHNWJBUSBGB-UFWORHAWSA-N
【SMILES】
COc1cc(cc(c1O)Br)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
2-BR-4-(((3-(4-F-PH)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL.cml