chempirical

5-Chloro-2-iodobenzoic acid

C7H4ClIO2CAS 13421-00-6282.46 g/mol

Open in Covalent MOL file
ClOOHI
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
13421-00-6
SMILES
C1=CC(=C(C=C1Cl)C(=O)O)I
InChIKey
NRPQWTVTBCRPEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Work with 5-Chloro-2-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

4-Chlorophthalic acid89-20-368 % similar 2,5-Dichlorobenzoic acid50-79-366 % similar 5-Chloro-2-methylbenzoic acid7499-06-165 % similar 2,5-Diiodobenzoic acid14192-12-264 % similar 5-Chlorosalicylic acid321-14-262 % similar 2-Amino-4-chlorobenzoic acid89-77-062 % similar 2-Bromo-5-chlorobenzoic acid21739-93-560 % similar 5-Chloro-2-fluorobenzoic acid394-30-960 % similar

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

Same formula

4-Chloro-2-iodobenzoic acid13421-13-1 2-Chloro-5-iodobenzoic acid19094-56-5 4-Chloro-3-iodobenzoic acid42860-04-8

Elsewhere

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