Ethyl 2-amino-5-iodobenzoate

C₉H₁₀INO₂CAS 268568-11-2291.09 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₉H₁₀INO₂
Molar mass: 291.09 g/mol
Exact mass: 290.9756 Da
logP: 2.05Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

268568-11-2

SMILES

CCOC(=O)c1cc(I)ccc1N

InChIKey

FPCLHSGOJPEKKE-UHFFFAOYSA-N

InChI

InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-amino-5-iodo-, ethyl ester
Ethyl 5-iodoanthranilate

Work with Ethyl 2-amino-5-iodobenzoate

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

Methyl 2-amino-5-iodobenzoate77317-55-667 % similar Ethyl 2-aminobenzoate87-25-262 % similar Ethyl 4-iodobenzoate51934-41-956 % similar Ethyl 2-iodobenzoate1829-28-350 % similar Diethyl phthalate84-66-250 % similar 2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride183322-17-048 % similar Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-448 % similar Ethyl 2-methylbenzoate87-24-148 % similar

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

Same formula

4-Iodo-dl-phenylalanine14173-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook