55923-08-5
1-(1-(DIFLUOROBORYL)OXY-3,4-DIHYDRO-6-METHOXY-NAPHTHALEN-2-YL)-ETHANONE INNER COMPLEX
Name1-(1-(DIFLUOROBORYL)OXY-3,4-DIHYDRO-6-METHOXY-NAPHTHALEN-2-YL)-ETHANONE INNER COMPLEX
pro_formulaC13 H13 B F2 O3
1Identification
【Name】
1-(1-(DIFLUOROBORYL)OXY-3,4-DIHYDRO-6-METHOXY-NAPHTHALEN-2-YL)-ETHANONE INNER COMPLEX
【CAS】
【MDL】
MFCD00799318
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H13 B F2 O3
【pro_molWeight】
266.05
【Inchi】
InChI=1S/C13H13BF2O3/c1-8(17)11-5-3-9-7-10(18-2)4-6-12(9)13(11)19-14(15)16/h4,6-7H,3,5H2,1-2H3
【InChIKey】
InChIKey=FXUQAHDARDZNTG-UHFFFAOYSA-N
【SMILES】
B(OC1=C(CCc2c1ccc(c2)OC)C(=O)C)(F)F
【MOL File】
1-(1-(DIFLUOROBORYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(1-(DIFLUOROBORYL)OXY-3,4-DIHYDRO-6-METHOXY-NAPHTHALEN-2-YL)-ETHANONE INNER COMPLEX.cml