3-Bromo-5-iodobenzoic acid

C₇H₄BrIO₂CAS 188815-32-9326.92 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄BrIO₂
Molar mass: 326.92 g/mol
Exact mass: 325.8439 Da
Melting point: 209–211 °C
logP: 2.75Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

188815-32-9

SMILES

O=C(O)c1cc(Br)cc(I)c1

InChIKey

MKJBJYCBKXPQSY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3-bromo-5-iodo-
5-Iodo-3-bromobenzoic acid

Work with 3-Bromo-5-iodobenzoic 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

3,5-Diiodobenzoic acid19094-48-574 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-970 % similar 3,5-Dibromobenzoic acid618-58-670 % similar 3-Bromo-5-chlorobenzoic acid42860-02-658 % similar 3-Iodobenzoic acid618-51-955 % similar Methyl 3-bromo-5-iodobenzoate188813-07-253 % similar 1,3-Dibromo-5-iodobenzene19752-57-952 % similar Trimesic acid554-95-052 % similar

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

Same formula

4-Bromo-2-iodobenzoic acid1133123-02-0

Elsewhere

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