2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid

CAS Registry Number®

561304-40-3
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CAS Name

2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid

Molecular Formula

C13H14F3NO5

Molecular Mass

321.25

Cite this Page

2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=561304-40-3 (retrieved 2024-06-16) (CAS RN: 561304-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19)

InChIKey

InChIKey=DYINHAOLKZFJQC-UHFFFAOYSA-N

SMILES

N(C(OC(C)(C)C)=O)C1=C(OC(F)(F)F)C=CC=C1C(O)=O

Canonical SMILES

O=C(O)C=1C=CC=C(OC(F)(F)F)C1NC(=O)OC(C)(C)C

Other Names for this Substance

  • Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)-
  • 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
  • 2-[(tert-Butoxycarbonyl)amino]-3-trifluoromethoxybenzoic acid

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