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881995-70-6

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881995-70-6 Structure

881995-70-6 Structure
IdentificationBack Directory
[Name]

(Z)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)but-2-enoate
[CAS]

881995-70-6
[Synonyms]

881995-70-6
Sitagliptin Impurity 95
(Z)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)but-2-enoate
2-Butenoic acid, 3-aMino-4-(2,4,5-trifluorophenyl)-, Methyl ester, (2Z)-
[Molecular Formula]

C11H10F3NO2
[MDL Number]

MFCD26961273
[MOL File]

881995-70-6.mol
[Molecular Weight]

245.2
Chemical PropertiesBack Directory
[Melting point ]

70-71 °C
[Boiling point ]

347.4±42.0 °C(Predicted)
[density ]

1.325±0.06 g/cm3(Predicted)
[pka]

3.95±0.70(Predicted)
[InChI]

InChI=1S/C11H10F3NO2/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3-5H,2,15H2,1H3/b7-4-
[InChIKey]

XKJLQAJESSUVAA-DAXSKMNVSA-N
[SMILES]

C(OC)(=O)/C=C(\N)/CC1=CC(F)=C(F)C=C1F
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