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Molecule record

3-bromochromen-2-one

C9H5BrO2

225.04 g/mol

Loading structure

Molecular properties

Formula
C9H5BrO2
Molar mass
225.04 g·mol−1
Exact mass
223.9473 Da
7
PubChem CID
970704

Functional groups

Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 10.14272/DZCTYFCCOGXULA-UHFFFAOYSA-N.1
  • 2H-1-Benzopyran-2-one, 3-bromo-
  • 3-Bromo-2-chromenone
  • 3-Bromo-2H-1-benzopyran-2-one
  • 3-Bromo-2H-1-benzopyran-2-one; 3-Bromo-coumarin; 3-Bromocoumarin
  • 3-bromo-2H-chromen-2-one
  • 3-bromo-chromen-2-one
  • 3-bromocoumarin
Show all 23 synonyms
  • 939-18-4
  • AKOS003269281
  • AS-37152
  • CS-0156001
  • DB-203394
  • DTXSID60359561
  • F048739
  • InChI=1/C9H5BrO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5
  • MFCD00463530
  • SCHEMBL1091047
  • SCHEMBL1091548
  • SCHEMBL2016273
  • STK522220
  • SY078443
  • doi:10.14272/DZCTYFCCOGXULA-UHFFFAOYSA-N.1

Structure identifiers

Canonical SMILES
O=c1oc2ccccc2cc1Br
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)Br
InChI
InChI=1S/C9H5BrO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKey
DZCTYFCCOGXULA-UHFFFAOYSA-N
PubChem CID
970704

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-bromochromen-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-bromochromen-2-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record