765278-34-0
5-((4-CL-BENZOYL)OXY)2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
Name5-((4-CL-BENZOYL)OXY)2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
1Identification
【Name】
5-((4-CL-BENZOYL)OXY)2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE
【CAS】
【MDL】
MFCD05720538
【English Synonyms】
【Formula】
C26 H16 Cl2 N4 O5
【MolWeight】
535.341
【Inchi】
InChI=1S/C26H16Cl2N4O5/c27-19-6-1-16(2-7-19)25(34)36-21-10-5-18(14-31-32-24(33)22-15-29-11-12-30-22)23(13-21)37-26(35)17-3-8-20(28)9-4-17/h1-15H,(H,32,33)/b31-14+
【InChIKey】
InChIKey=ISCQQFKXOHAEKS-XAZZYMPDSA-N
【SMILES】
c1cc(ccc1C(=O)Oc2ccc(c(c2)OC(=O)c3ccc(cc3)Cl)/C=N/NC(=O)c4cnccn4)Cl
【MOL File】
5-((4-CL-BENZOYL)OXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((4-CL-BENZOYL)OXY)2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATE.cml