764652-96-2
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
Name4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
pro_formulaC29 H23 F N2 O4
1Identification
【Name】
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE
【CAS】
【MDL】
MFCD05720458
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H23 F N2 O4
【pro_molWeight】
482.509
【Inchi】
InChI=1S/C29H23FN2O4/c1-20-6-8-22(9-7-20)19-35-24-16-12-23(13-17-24)28(33)32-31-18-21-10-14-25(15-11-21)36-29(34)26-4-2-3-5-27(26)30/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=HOEBTAXUUAAGNX-FDAWAROLSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3ccc(cc3)OC(=O)c4ccccc4F
【MOL File】
4-(2-(4-((4-METHYLBE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-FLUOROBENZOATE.cml