3-Bromo-5-iodobenzoic acid

C7H4BrIO2CAS 188815-32-9326.92 g/mol

Open in Covalent MOL file
OHOBrI
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-hydroxybenzoic acid140472-69-159 % similar 3-Bromo-5-fluorobenzoic acid176548-70-258 % similar 3-Bromo-5-chlorobenzoic acid42860-02-658 % similar 3-Iodobenzoic acid618-51-955 % similar 3-Bromo-5-methoxybenzoic acid157893-14-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-iodobenzoic acid1133123-02-0 5-Bromo-2-iodobenzoic acid21740-00-1 2-Bromo-5-iodobenzoic acid25252-00-0

Elsewhere

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