chempirical

5-Bromo-2-furancarboxylic acid

C5H3BrO3CAS 585-70-6190.98 g/mol

Open in Covalent MOL file
OHOBrO
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3BrO3
Molar mass
190.98 g/mol
Exact mass
189.9266 Da
Melting point
184–186 °C
logP
1.74Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
585-70-6
SMILES
O=C(O)c1ccc(Br)o1
InChIKey
YVTQHZDUDUCGRD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

Weigh it out

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Names and synonyms

6 names
  • 2-Furancarboxylic acid, 5-bromo-
  • 2-Furoic acid, 5-bromo-
  • 5-Bromo-2-furoic acid
  • 5-Bromofuroic acid
  • NSC 32221
  • 5-Bromo-2-furanoic acid

Work with 5-Bromo-2-furancarboxylic 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

2,5-Furandicarboxylic acid3238-40-268 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-652 % similar 5-Nitro-2-furoic acid645-12-547 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-245 % similar 2-Bromobenzoic acid88-65-344 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-743 % similar 5-(4-Methoxyphenyl)-2-furancarboxylic acid52938-99-543 % similar Phthalic acid88-99-341 % similar

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

Elsewhere

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