765910-48-3
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC19 H12 Br Cl N4 O3
1Identification
【Name】
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153789
【English Synonyms】
【Formula】
C19 H12 Br Cl N4 O3
【MolWeight】
459.686
【Inchi】
InChI=1S/C19H12BrClN4O3/c20-13-5-6-17(28-19(27)14-3-1-2-4-15(14)21)12(9-13)10-24-25-18(26)16-11-22-7-8-23-16/h1-11H,(H,25,26)/b24-10+
【InChIKey】
InChIKey=DVBLKKYVLSPNFY-YSURURNPSA-N
【SMILES】
c1ccc(c(c1)C(=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 2-CHLOROBENZOATE.cml