769153-98-2
3-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153364
【English Synonyms】
【Formula】
C23 H19 F N2 O5
【MolWeight】
422.41
【Inchi】
InChI=1S/C23H19FN2O5/c1-29-19-9-5-17(6-10-19)23(28)31-21-4-2-3-16(13-21)14-25-26-22(27)15-30-20-11-7-18(24)8-12-20/h2-14H,15H2,1H3,(H,26,27)/b25-14+
【InChIKey】
InChIKey=XBLJDZURQPDFAO-AFUMVMLFSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/C=N/NC(=O)COc3ccc(cc3)F
【MOL File】
3-(2-((4-FLUOROPHENO….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
3-(2-((4-FLUOROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml