4-Chloro-3-iodobenzoic acid

C₇H₄ClIO₂CAS 42860-04-8282.46 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: 216–217 °C
logP: 2.64Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

42860-04-8

SMILES

O=C(O)c1ccc(Cl)c(I)c1

InChIKey

SDRURVZKYHGDAP-UHFFFAOYSA-N

InChI

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

Work with 4-Chloro-3-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

3,4-Dichlorobenzoic acid51-44-568 % similar 4-Chloro-3-methylbenzoic acid7697-29-265 % similar 3-Iodo-4-methylbenzoic acid82998-57-062 % similar 4-Amino-3-iodobenzoic acid2122-63-660 % similar 3-Amino-4-chlorobenzoic acid2840-28-060 % similar 4-Chloro-3-fluorobenzoic acid403-17-860 % similar 3-Chloro-4-methylbenzoic acid5162-82-360 % similar 3-Chloro-4-hydroxybenzoic acid3964-58-757 % 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 2-Chloro-5-iodobenzoic acid19094-56-5

Elsewhere

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