N-Acetyl-2,3,6-trifluorophenylalanine methyl ester

CAS Registry Number®

1630096-65-9
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CAS Name

N-Acetyl-2,3,6-trifluorophenylalanine methyl ester

Molecular Formula

C12H12F3NO3

Molecular Mass

275.22

Cite this Page

N-Acetyl-2,3,6-trifluorophenylalanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1630096-65-9 (retrieved 2024-08-28) (CAS RN: 1630096-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12F3NO3/c1-6(17)16-10(12(18)19-2)5-7-8(13)3-4-9(14)11(7)15/h3-4,10H,5H2,1-2H3,(H,16,17)

InChIKey

InChIKey=IOUUKCKZALPUCA-UHFFFAOYSA-N

SMILES

C(C(C(OC)=O)NC(C)=O)C1=C(F)C(F)=CC=C1F

Canonical SMILES

O=C(OC)C(NC(=O)C)CC=1C(F)=CC=C(F)C1F

Other Names for this Substance

  • Phenylalanine, N-acetyl-2,3,6-trifluoro-, methyl ester
  • N-Acetyl-2,3,6-trifluorophenylalanine methyl ester