chempirical

6-Bromochromone-2-carboxylic acid

C10H5BrO4CAS 51484-06-1269.05 g/mol

Open in Covalent MOL file
BrOOOOH
Aryl halideCarboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51484-06-1
SMILES
C1=CC2=C(C=C1Br)C(=O)C=C(O2)C(=O)O
InChIKey
QSBZDBNPXSVVHH-UHFFFAOYSA-N
InChI
InChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)

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Names and synonyms

1 names
  • 6-Bromo-4-oxo-4H-chromene-2-carboxylic acid

Work with 6-Bromochromone-2-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

6-Methylchromone-2-carboxylic acid5006-44-068 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-168 % similar 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid99199-59-468 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-267 % similar 4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-067 % similar 6-Bromochromone51483-92-249 % similar 2,8-Dibromodibenzofuran10016-52-147 % similar 6-Bromo-4-hydroxycoumarin4139-61-145 % similar

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

Same formula

6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-3

Elsewhere

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