463959-58-2
2-BROMO-6-METHOXY-4-[(Z)-(6-METHYL-3,7-DIOXO-7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2(3H)-YLIDENE)METHYL]PHENYL ACETATE
Name2-BROMO-6-METHOXY-4-[(Z)-(6-METHYL-3,7-DIOXO-7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2(3H)-YLIDENE)METHYL]PHENYL ACETATE
FormulaC16 H12 Br N3 O5 S
1Identification
【Name】
2-BROMO-6-METHOXY-4-[(Z)-(6-METHYL-3,7-DIOXO-7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2(3H)-YLIDENE)METHYL]PHENYL ACETATE
【CAS】
【MDL】
MFCD01573476
【English Synonyms】
【Formula】
C16 H12 Br N3 O5 S
【MolWeight】
438.257
【Inchi】
InChI=1S/C16H12BrN3O5S/c1-7-14(22)18-16-20(19-7)15(23)12(26-16)6-9-4-10(17)13(25-8(2)21)11(5-9)24-3/h4-6H,1-3H3/b12-6-
【InChIKey】
InChIKey=YOXDZOIXMFYWRJ-SDQBBNPISA-N
【SMILES】
Cc1c(=O)nc2n(n1)c(=O)/c(=C/c3cc(c(c(c3)Br)OC(=O)C)OC)/s2
【MOL File】
2-BROMO-6-METHOXY-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BROMO-6-METHOXY-4-[(Z)-(6-METHYL-3,7-DIOXO-7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2(3H)-YLIDENE)METHYL]PHENYL ACETATE.cml