56472-13-0
5-(2,4-DICHLOROPHENYL)-2-METHYL-3-(4-OXO-4H-CHROMEN-3-YL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE
Name5-(2,4-DICHLOROPHENYL)-2-METHYL-3-(4-OXO-4H-CHROMEN-3-YL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE
pro_formulaC21 H14 Cl2 N2 O5
1Identification
【Name】
5-(2,4-DICHLOROPHENYL)-2-METHYL-3-(4-OXO-4H-CHROMEN-3-YL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE
【CAS】
【MDL】
MFCD01315965
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H14 Cl2 N2 O5
【pro_molWeight】
445.257
【Inchi】
InChI=1S/C21H14Cl2N2O5/c1-24-17(12-9-29-15-5-3-2-4-11(15)18(12)26)16-19(30-24)21(28)25(20(16)27)14-7-6-10(22)8-13(14)23/h2-9,16-17,19H,1H3
【InChIKey】
InChIKey=ADZJARQMKWNYLU-UHFFFAOYSA-N
【SMILES】
CN1C(C2C(O1)C(=O)N(C2=O)c3ccc(cc3Cl)Cl)c4coc5ccccc5c4=O
【MOL File】
5-(2,4-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(2,4-DICHLOROPHENYL)-2-METHYL-3-(4-OXO-4H-CHROMEN-3-YL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE.cml