765296-72-8
4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199695
【English Synonyms】
【Formula】
C19 H13 Br N4 O3
【MolWeight】
425.241
【Inchi】
InChI=1S/C19H13BrN4O3/c20-16-4-2-1-3-15(16)19(26)27-14-7-5-13(6-8-14)11-23-24-18(25)17-12-21-9-10-22-17/h1-12H,(H,24,25)/b23-11+
【InChIKey】
InChIKey=VDDBFUQEBDHSOM-FOKLQQMPSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3cnccn3)Br
【MOL File】
4-(2-(2-PYRAZINYLCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml