chempirical

6-Bromo-2-oxo-2H-chromene-3-carboxylic acid

C10H5BrO4CAS 2199-87-3269.05 g/mol

Open in Covalent MOL file
OHOBrOO
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H5BrO4
Molar mass
269.05 g/mol
Exact mass
267.9371 Da
Melting point
200 °C
logP
2.25Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2199-87-3
SMILES
O=C(O)c1cc2cc(Br)ccc2oc1=O
InChIKey
XFQHPAXNKDYMOX-UHFFFAOYSA-N
InChI
InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-
  • 6-Bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid
  • 6-Bromo-3-carboxycoumarin
  • 6-Bromocoumarin-3-carboxylic acid

Work with 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-benzofurancarboxylic acid10242-11-265 % similar Coumarin-3-carboxylic acid531-81-765 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-160 % similar 7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-952 % similar 4-Bromophthalic acid6968-28-151 % similar 4,7-Dibromo-3-hydroxy-2-naphthalenecarboxylic acid1779-10-849 % similar 2,5-Dibromobenzoic acid610-71-949 % similar 2,4-Dibromobenzoic acid611-00-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook