765310-52-9
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC19 H12 Br Cl N4 O3
1Identification
【Name】
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153804
【English Synonyms】
【Formula】
C19 H12 Br Cl N4 O3
【MolWeight】
459.686
【Inchi】
InChI=1S/C19H12BrClN4O3/c20-14-3-6-17(28-19(27)12-1-4-15(21)5-2-12)13(9-14)10-24-25-18(26)16-11-22-7-8-23-16/h1-11H,(H,25,26)/b24-10+
【InChIKey】
InChIKey=MUFWHKLINLXKLR-YSURURNPSA-N
【SMILES】
c1cc(ccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cnccn3)Br)Cl
【MOL File】
4-BROMO-2-(2-(2-PYRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml