Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester

CAS Registry Number®

325786-25-2
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CAS Name

Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester

Molecular Formula

C9H9BClFO4

Molecular Mass

246.43

Cite this Page

Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=325786-25-2 (retrieved 2024-09-09) (CAS RN: 325786-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9BClFO4/c1-2-16-9(13)5-3-6(10(14)15)8(12)4-7(5)11/h3-4,14-15H,2H2,1H3

InChIKey

InChIKey=AFUHWELFZBBIMI-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(B(O)O)=C(F)C=C1Cl

Canonical SMILES

O=C(OCC)C1=CC(B(O)O)=C(F)C=C1Cl

Other Names for this Substance

  • Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester
  • [4-Chloro-5-(ethoxycarbonyl)-2-fluorophenyl]boronic acid