5106-00-3
(S)-3-(4-HYDROXY-3-NITRO-PHENYL)-2-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPIONIC ACID METHYL ESTER
Name(S)-3-(4-HYDROXY-3-NITRO-PHENYL)-2-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPIONIC ACID METHYL ESTER
pro_formulaC12 H11 F3 N2 O6
1Identification
【Name】
(S)-3-(4-HYDROXY-3-NITRO-PHENYL)-2-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPIONIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09878838
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H11 F3 N2 O6
【pro_molWeight】
336.221
【Inchi】
InChI=1S/C12H11F3N2O6/c1-23-10(19)7(16-11(20)12(13,14)15)4-6-2-3-9(18)8(5-6)17(21)22/h2-3,5,7,18H,4H2,1H3,(H,16,20)/t7-/m0/s1
【InChIKey】
InChIKey=ZGAYOJCPMFXFRG-ZETCQYMHSA-N
【SMILES】
COC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)C(F)(F)F
【MOL File】
(S)-3-(4-HYDROXY-3-N….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(S)-3-(4-HYDROXY-3-NITRO-PHENYL)-2-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPIONIC ACID METHYL ESTER.cml