769152-49-0
4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H16 Br2 Cl N3 O4
1Identification
【Name】
4-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153537
【English Synonyms】
【Formula】
C23 H16 Br2 Cl N3 O4
【MolWeight】
593.657
【Inchi】
InChI=1S/C23H16Br2ClN3O4/c24-16-5-3-4-14(10-16)22(31)27-13-21(30)29-28-12-15-11-17(25)8-9-20(15)33-23(32)18-6-1-2-7-19(18)26/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=NNTMLIWSNOJSOS-KVSWJAHQSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3cccc(c3)Br)Br)Cl
【MOL File】
4-BR-2-(2-(((3-BROMO….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-BR-2-(2-(((3-BROMOBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml