1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile

CAS Registry Number®

1202006-93-6
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CAS Name

1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile

Molecular Formula

C13H12BrNO

Molecular Mass

278.14

Cite this Page

1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1202006-93-6 (retrieved 2024-05-20) (CAS RN: 1202006-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-96 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12BrNO/c14-12-4-2-1-3-11(12)13(9-15)7-5-10(16)6-8-13/h1-4H,5-8H2

InChIKey

InChIKey=WTXFSSCKJGPKTR-UHFFFAOYSA-N

SMILES

C(#N)C1(CCC(=O)CC1)C2=C(Br)C=CC=C2

Canonical SMILES

N#CC1(C=2C=CC=CC2Br)CCC(=O)CC1

Other Names for this Substance

  • Cyclohexanecarbonitrile, 1-(2-bromophenyl)-4-oxo-
  • 1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile

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