765911-84-0
2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199806
【English Synonyms】
【Formula】
C20 H14 Cl N3 O3
【MolWeight】
379.802
【Inchi】
InChI=1S/C20H14ClN3O3/c21-17-9-7-14(8-10-17)20(26)27-18-6-2-1-4-15(18)13-23-24-19(25)16-5-3-11-22-12-16/h1-13H,(H,24,25)/b23-13+
【InChIKey】
InChIKey=UTTZJGLHZPFTQU-YDZHTSKRSA-N
【SMILES】
c1ccc(c(c1)/C=N/NC(=O)c2cccnc2)OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-(3-PYRIDINYLCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml