765279-10-5
2-(2-(2-((1,1'-BIPHENYL)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH BENZOATE
Name2-(2-(2-((1,1'-BIPHENYL)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH BENZOATE
1Identification
【Name】
2-(2-(2-((1,1'-BIPHENYL)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH BENZOATE
【CAS】
【MDL】
MFCD06200101
【English Synonyms】
【Formula】
C29 H23 Br N2 O4
【MolWeight】
543.415
【Inchi】
InChI=1S/C29H23BrN2O4/c1-20(35-26-15-12-22(13-16-26)21-8-4-2-5-9-21)28(33)32-31-19-24-18-25(30)14-17-27(24)36-29(34)23-10-6-3-7-11-23/h2-20H,1H3,(H,32,33)/b31-19+
【InChIKey】
InChIKey=XONWPVMOKAGDEA-ZCTHSVRISA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2)Br)Oc3ccc(cc3)c4ccccc4
【MOL File】
2-(2-(2-((1,1'-BIPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(2-((1,1'-BIPHENYL)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH BENZOATE.cml