chempirical

2-Chloro-5-iodobenzoic acid

C7H4ClIO2CAS 19094-56-5282.46 g/mol

Open in Covalent MOL file
OHOICl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4ClIO2
Molar mass
282.46 g/mol
Exact mass
281.8945 Da
logP
2.64Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
19094-56-5
SMILES
O=C(O)c1cc(I)ccc1Cl
InChIKey
GEBYSTBEDVQOTK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-chloro-5-iodo-
  • 5-Iodo-2-chlorobenzoic acid
  • B-(2-Chloro-5-iodophenyl)boronic acid

Work with 2-Chloro-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

2,5-Dichlorobenzoic acid50-79-366 % similar 2,5-Diiodobenzoic acid14192-12-264 % similar 5-Iodosalicylic acid119-30-262 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar

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

Same formula

5-Chloro-2-iodobenzoic acid13421-00-6 4-Chloro-2-iodobenzoic acid13421-13-1 4-Chloro-3-iodobenzoic acid42860-04-8

Elsewhere

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