765911-01-1
4-BR-2-(2-((4-ETHOXYANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-((4-ETHOXYANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC24 H19 Br Cl N3 O5
1Identification
【Name】
4-BR-2-(2-((4-ETHOXYANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153735
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O5
【MolWeight】
544.787
【Inchi】
InChI=1S/C24H19BrClN3O5/c1-2-33-20-10-8-19(9-11-20)28-22(30)23(31)29-27-14-16-13-17(25)5-12-21(16)34-24(32)15-3-6-18(26)7-4-15/h3-14H,2H2,1H3,(H,28,30)(H,29,31)/b27-14+
【InChIKey】
InChIKey=XRGXFTBAZSTTFK-MZJWZYIUSA-N
【SMILES】
CCOc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BR-2-(2-((4-ETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-ETHOXYANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml