4-Chloro-2-iodobenzoic acid

C₇H₄ClIO₂CAS 13421-13-1282.46 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄ClIO₂
Molar mass: 282.46 g/mol
Exact mass: 281.8945 Da
Melting point: 161–163 °C
logP: 2.64Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

13421-13-1

SMILES

O=C(O)c1ccc(Cl)cc1I

InChIKey

LRRDANNSUCQNDU-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/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, 4-chloro-2-iodo-
2-Iodo-4-chlorobenzoic acid

Work with 4-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 4-Chloro-2-methylbenzoic acid7499-07-265 % similar 2,4-Dichlorobenzoic acid50-84-064 % similar 4-Chlorosalicylic acid5106-98-962 % similar 2-Amino-4-chlorobenzoic acid89-77-062 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar 4-Bromo-2-iodobenzoic acid1133123-02-060 % similar 4-Chloro-2-fluorobenzoic acid446-30-060 % similar

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

Same formula

5-Chloro-2-iodobenzoic acid13421-00-6 2-Chloro-5-iodobenzoic acid19094-56-5 4-Chloro-3-iodobenzoic acid42860-04-8

Elsewhere

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