Methyl 4,5-difluoro-2-isocyanatobenzoate

CAS Registry Number®

936500-96-8
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CAS Name

Methyl 4,5-difluoro-2-isocyanatobenzoate

Molecular Formula

C9H5F2NO3

Molecular Mass

213.14

Cite this Page

Methyl 4,5-difluoro-2-isocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=936500-96-8 (retrieved 2024-09-13) (CAS RN: 936500-96-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H5F2NO3/c1-15-9(14)5-2-6(10)7(11)3-8(5)12-4-13/h2-3H,1H3

InChIKey

InChIKey=DQMKCHWWVLWXEM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC(F)=C(F)C=C1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 4,5-difluoro-2-isocyanato-, methyl ester
  • Methyl 4,5-difluoro-2-isocyanatobenzoate
  • 2-Isocyanato-4,5-difluorobenzoic acid methyl ester