1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

CAS Registry Number®

1131587-56-8

CAS Name

1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

Molecular Formula

C12H13F3INO2

Molecular Mass

387.14

Cite this Page

1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131587-56-8 (retrieved 2024-11-08) (CAS RN: 1131587-56-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13F3INO2/c1-11(2,3)19-10(18)6-4-8(16)7(5-9(6)17)12(13,14)15/h4-5H,17H2,1-3H3

InChIKey

InChIKey=XHTULNFTRMOALE-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C1=C(N)C=C(C(F)(F)F)C(I)=C1

Canonical SMILES

O=C(OC(C)(C)C)C1=CC(I)=C(C=C1N)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-amino-5-iodo-4-(trifluoromethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

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