769151-12-4
1-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
FormulaC26 H16 Cl2 F N3 O4
1Identification
【Name】
1-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153847
【English Synonyms】
【Formula】
C26 H16 Cl2 F N3 O4
【MolWeight】
524.333
【Inchi】
InChI=1S/C26H16Cl2FN3O4/c27-16-6-11-20(22(28)13-16)26(35)36-23-12-5-15-3-1-2-4-19(15)21(23)14-30-32-25(34)24(33)31-18-9-7-17(29)8-10-18/h1-14H,(H,31,33)(H,32,34)/b30-14+
【InChIKey】
InChIKey=OHLCVYKLQKLUPO-AMVVHIIESA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)C(=O)Nc3ccc(cc3)F)OC(=O)c4ccc(cc4Cl)Cl
【MOL File】
1-(2-((4-FLUOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml