764655-85-8
4-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC23 H16 Br Cl2 N3 O4
1Identification
【Name】
4-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154616
【English Synonyms】
【Formula】
C23 H16 Br Cl2 N3 O4
【MolWeight】
549.206
【Inchi】
InChI=1S/C23H16BrCl2N3O4/c24-18-4-2-1-3-17(18)23(32)33-16-8-5-14(6-9-16)12-28-29-21(30)13-27-22(31)15-7-10-19(25)20(26)11-15/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=KHXRHKGZWGSOPF-KVSWJAHQSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)CNC(=O)c3ccc(c(c3)Cl)Cl)Br
【MOL File】
4-(2-(((3,4-DICHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml