2-Amino-3-iodobenzoic acid

C₇H₆INO₂CAS 20776-55-0263.03 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
Melting point: 137 °C
logP: 1.57Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

20776-55-0

SMILES

Nc1c(I)cccc1C(=O)O

InChIKey

NPQWFVGQIVTULM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-amino-3-iodo-
Anthranilic acid, 3-iodo-
3-Iodoanthranilic acid
NSC 135149

Work with 2-Amino-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

2-Amino-3-methylbenzoic acid4389-45-165 % similar 2-Iodobenzoic acid88-67-565 % similar 2,3-Diaminobenzoic acid603-81-664 % similar 3-Iodophthalic acid6937-34-464 % similar 2-Amino-3-bromobenzoic acid20776-51-662 % similar 3-Hydroxyanthranilic acid548-93-662 % similar 2-Amino-3-chlorobenzoic acid6388-47-262 % similar 2-Amino-3-fluorobenzoic acid825-22-960 % 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-4-iodo-benzoic acid20776-54-9 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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