765903-42-2
2-(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH 4-CL-BENZOATE
Name2-(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH 4-CL-BENZOATE
FormulaC29 H22 Br Cl N2 O4
1Identification
【Name】
2-(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH 4-CL-BENZOATE
【CAS】
【MDL】
MFCD06199932
【English Synonyms】
【Formula】
C29 H22 Br Cl N2 O4
【MolWeight】
577.86
【Inchi】
InChI=1S/C29H22BrClN2O4/c1-19(36-26-14-9-21(10-15-26)20-5-3-2-4-6-20)28(34)33-32-18-23-17-24(30)11-16-27(23)37-29(35)22-7-12-25(31)13-8-22/h2-19H,1H3,(H,33,34)/b32-18+
【InChIKey】
InChIKey=MHDXWAIPUOTXIH-KCSSXMTESA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)Cl)Br)Oc3ccc(cc3)c4ccccc4
【MOL File】
2-(2-(2-((1,1'-BI-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)-4-BR-PH 4-CL-BENZOATE.cml