chempirical

2,5-Dibromobenzoic acid

C7H4Br2O2CAS 610-71-9279.91 g/mol

Open in Covalent MOL file
OHOBrBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4Br2O2
Molar mass
279.91 g/mol
Exact mass
277.8578 Da
Melting point
157 °C
logP
2.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
610-71-9
SMILES
O=C(O)c1cc(Br)ccc1Br
InChIKey
SQQKOTVDGCJJKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

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

Names and synonyms

2 names
  • Benzoic acid, 2,5-dibromo-
  • NSC 190697

Work with 2,5-Dibromobenzoic 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

4-Bromophthalic acid6968-28-172 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-168 % similar 5-Bromosalicylic acid89-55-466 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-364 % similar 5-Bromo-2-fluorobenzoic acid146328-85-064 % similar 5-Bromo-2-chlorobenzoic acid21739-92-464 % similar 2-Bromo-5-chlorobenzoic acid21739-93-564 % similar 2-Bromo-5-fluorobenzoic acid394-28-564 % similar

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

Same formula

3,5-Dibromo-4-hydroxybenzaldehyde2973-77-5 2,4-Dibromobenzoic acid611-00-7 3,5-Dibromobenzoic acid618-58-6 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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