764656-96-4
4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
FormulaC23 H16 Br Cl2 N3 O4
1Identification
【Name】
4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154569
【English Synonyms】
【Formula】
C23 H16 Br Cl2 N3 O4
【MolWeight】
549.206
【Inchi】
InChI=1S/C23H16BrCl2N3O4/c24-16-3-1-2-15(10-16)22(31)27-13-21(30)29-28-12-14-4-7-18(8-5-14)33-23(32)19-9-6-17(25)11-20(19)26/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=MKEGYHGYXVDYIE-KVSWJAHQSA-N
【SMILES】
c1cc(cc(c1)Br)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl
【MOL File】
4-(2-(((3-BROMOBENZO….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-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml