767289-27-0
1-(2-((4-BROMOANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-((4-BROMOANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
FormulaC26 H16 Br Cl2 N3 O4
1Identification
【Name】
1-(2-((4-BROMOANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153891
【English Synonyms】
【Formula】
C26 H16 Br Cl2 N3 O4
【MolWeight】
585.239
【Inchi】
InChI=1S/C26H16BrCl2N3O4/c27-16-6-9-18(10-7-16)31-24(33)25(34)32-30-14-21-19-4-2-1-3-15(19)5-12-23(21)36-26(35)20-11-8-17(28)13-22(20)29/h1-14H,(H,31,33)(H,32,34)/b30-14+
【InChIKey】
InChIKey=ZEMSITFOSLPWRJ-AMVVHIIESA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/NC(=O)C(=O)Nc3ccc(cc3)Br)OC(=O)c4ccc(cc4Cl)Cl
【MOL File】
1-(2-((4-BROMOANILIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-BROMOANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml