chempirical

4,7-Dibromo-3-hydroxy-2-naphthalenecarboxylic acid

C11H6Br2O3CAS 1779-10-8345.97 g/mol

Open in Covalent MOL file
OHOBrBrHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C11H6Br2O3
Molar mass
345.97 g/mol
Exact mass
343.8684 Da
Melting point
251 °C
logP
3.77Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1779-10-8
SMILES
O=C(O)c1cc2cc(Br)ccc2c(Br)c1O
InChIKey
WNMKUIQCIRAXBN-UHFFFAOYSA-N
InChI
InChI=1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)

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Names and synonyms

6 names
  • 2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-
  • 2-Naphthoic acid, 4,7-dibromo-3-hydroxy-
  • 4,7-Dibromo-3-hydroxy-2-naphthoic acid
  • NSC 50642
  • NSC 8508
  • 1,6-Dibromo-2-hydroxynaphthalene-3-carboxylicacid

Work with 4,7-Dibromo-3-hydroxy-2-naphthalenecarboxylic 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

7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-956 % similar 4-Bromophthalic acid6968-28-151 % similar 5-Bromosalicylic acid89-55-451 % similar 3,5-Dibromosalicylic acid3147-55-550 % similar 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-349 % similar 2,5-Dibromobenzoic acid610-71-949 % similar 2,4-Dibromobenzoic acid611-00-749 % similar 2-Amino-4-bromobenzoic acid20776-50-548 % similar

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

Elsewhere

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