2-Amino-4-iodo-benzoic acid

C₇H₆INO₂CAS 20776-54-9263.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₆INO₂
Molar mass: 263.03 g/mol
Exact mass: 262.9443 Da
logP: 1.57Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20776-54-9

SMILES

C1=CC(=C(C=C1I)N)C(=O)O

InChIKey

KWIIUIVETQQQHX-UHFFFAOYSA-N

InChI

InChI=1S/C7H6INO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-Amino-4-iodobenzoic acid

Work with 2-Amino-4-iodo-benzoic 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-Diiodobenzoic acid14192-12-266 % similar 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-865 % similar 2-Aminoterephthalic acid10312-55-763 % similar 2-Fluoro-4-iodobenzoic acid124700-40-962 % similar 5-Iodosalicylic acid119-30-259 % similar 2-Amino-4-bromobenzoic acid20776-50-559 % similar 2-Amino-4-methylbenzoic acid2305-36-459 % similar 2-Amino-4-fluorobenzoic acid446-32-259 % similar

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

Same formula

4-Iodo-2-methoxynicotinaldehyde158669-26-2 3-Iodoisonicotinic acid methyl ester188677-49-8 2-Amino-3-iodobenzoic acid20776-55-0 4-Amino-3-iodobenzoic acid2122-63-6 4-Iodo-2-nitrotoluene41252-97-5 1-Iodo-2-methyl-4-nitrobenzene5326-38-5 4-Iodo-3-nitrotoluene5326-39-6 2-Amino-5-iodobenzoic acid5326-47-6

Elsewhere

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