767332-69-4
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(2-PYRAZINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199639
【English Synonyms】
【Formula】
C20 H15 Br N4 O3
【MolWeight】
439.267
【Inchi】
InChI=1S/C20H15BrN4O3/c1-13-3-2-4-14(9-13)20(27)28-18-6-5-16(21)10-15(18)11-24-25-19(26)17-12-22-7-8-23-17/h2-12H,1H3,(H,25,26)/b24-11+
【InChIKey】
InChIKey=ZGZCHZFHFPPUQH-BHGWPJFGSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cnccn3)Br
【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 3-METHYLBENZOATE.cml