3-Fluoro-4-methoxy-β-oxobenzenepropanenitrile

CAS Registry Number®

898786-96-4
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CAS Name

3-Fluoro-4-methoxy-β-oxobenzenepropanenitrile

Molecular Formula

C10H8FNO2

Molecular Mass

193.17

Cite this Page

3-Fluoro-4-methoxy-β-oxobenzenepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898786-96-4 (retrieved 2024-09-07) (CAS RN: 898786-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H8FNO2/c1-14-10-3-2-7(6-8(10)11)9(13)4-5-12/h2-3,6H,4H2,1H3

InChIKey

InChIKey=REMCCUSJDGHABW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC(=O)C1=CC=C(OC)C(F)=C1

Other Names for this Substance

  • Benzenepropanenitrile, 3-fluoro-4-methoxy-β-oxo-
  • 3-Fluoro-4-methoxy-β-oxobenzenepropanenitrile
  • 3-Fluoro-4-methoxybenzoylacetonitrile