chempirical

6,8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid

C10H4Br2O4CAS 3855-87-6347.95 g/mol

Open in Covalent MOL file
OOBrBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H4Br2O4
Molar mass
347.95 g/mol
Exact mass
345.8476 Da
logP
3.02Crippen 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
3855-87-6
SMILES
C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C(=O)O
InChIKey
KJFIZDKBEUTEPR-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)

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Names and synonyms

1 names
  • 6,8-Dibromocoumarin-3-carboxylic acid

Work with 6,8-Dibromo-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

6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-361 % similar Coumarin-3-carboxylic acid531-81-749 % similar 3,5-Dibromosalicylic acid3147-55-549 % similar 2-Amino-3,5-dibromobenzoic acid609-85-848 % similar 2,4-Dibromobenzoic acid611-00-748 % similar 2,4,6-Tribromobenzoic acid633-12-548 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-146 % similar Coumarin 34355804-65-445 % similar

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

Elsewhere

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