765310-58-5
4-BR-2-(2-((4-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-((4-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC22 H14 Br Cl2 N3 O4
1Identification
【Name】
4-BR-2-(2-((4-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153798
【English Synonyms】
【Formula】
C22 H14 Br Cl2 N3 O4
【MolWeight】
535.18
【Inchi】
InChI=1S/C22H14BrCl2N3O4/c23-15-3-10-19(32-22(31)13-1-4-16(24)5-2-13)14(11-15)12-26-28-21(30)20(29)27-18-8-6-17(25)7-9-18/h1-12H,(H,27,29)(H,28,30)/b26-12+
【InChIKey】
InChIKey=YMERKZPGNMQMBT-RPPGKUMJSA-N
【SMILES】
c1cc(ccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(cc3)Cl)Br)Cl
【MOL File】
4-BR-2-(2-((4-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml