885324-25-4
R-3-(4-ACETYLAMINO-PHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-TRIFLUOROMETHYL-PHENYL)-PROPIONAMIDE
NameR-3-(4-ACETYLAMINO-PHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-TRIFLUOROMETHYL-PHENYL)-PROPIONAMIDE
pro_formulaC19 H18 F3 N3 O6
1Identification
【Name】
R-3-(4-ACETYLAMINO-PHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-TRIFLUOROMETHYL-PHENYL)-PROPIONAMIDE
【CAS】
【MDL】
MFCD13248607
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H18 F3 N3 O6
【pro_molWeight】
441.36
【Inchi】
InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
【InChIKey】
InChIKey=YVXVTLGIDOACBJ-GOSISDBHSA-N
【SMILES】
CC(=O)Nc1ccc(cc1)OC[C@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O
【MOL File】
R-3-(4-ACETYLAMINO-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:9
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
R-3-(4-ACETYLAMINO-PHENOXY)-2-HYDROXY-2-METHYL-N-(4-NITRO-3-TRIFLUOROMETHYL-PHENYL)-PROPIONAMIDE.cml