622369-46-4
4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-7-FLUORO-6-METHOXY-3-QUINOLINECARBONITRILE
Name4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-7-FLUORO-6-METHOXY-3-QUINOLINECARBONITRILE
FormulaC18 H12 Cl2 F N3 O2
1Identification
【Name】
4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-7-FLUORO-6-METHOXY-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD16659817
【English Synonyms】
【Formula】
C18 H12 Cl2 F N3 O2
【MolWeight】
392.216
【Inchi】
InChI=1S/C18H12Cl2FN3O2/c1-25-16-6-15(11(19)4-12(16)20)24-18-9(7-22)8-23-14-5-13(21)17(26-2)3-10(14)18/h3-6,8H,1-2H3,(H,23,24)
【InChIKey】
InChIKey=AXSYHFQBQMKSGH-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1F)ncc(c2Nc3cc(c(cc3Cl)Cl)OC)C#N
【MOL File】
4-[(2,4-DICHLORO-5-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-7-FLUORO-6-METHOXY-3-QUINOLINECARBONITRILE.cml