765271-67-8
4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05720471
【English Synonyms】
【Formula】
C21 H16 Br N3 O4
【MolWeight】
454.278
【Inchi】
InChI=1S/C21H16BrN3O4/c1-28-18-7-4-14(5-8-18)21(27)29-19-9-6-17(22)11-16(19)13-24-25-20(26)15-3-2-10-23-12-15/h2-13H,1H3,(H,25,26)/b24-13+
【InChIKey】
InChIKey=NBAXURCWHWGOSU-ZMOGYAJESA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cccnc3)Br
【MOL File】
4-BROMO-2-(2-(3-PYRI….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-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml