2-Amino-3,5-diiodobenzoic acid

C₇H₅I₂NO₂CAS 609-86-9388.93 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅I₂NO₂
Molar mass: 388.93 g/mol
Exact mass: 388.8410 Da
Melting point: 230–232 °C
logP: 2.18Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

609-86-9

SMILES

Nc1c(I)cc(I)cc1C(=O)O

InChIKey

RFIBDMCPIREZKC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-amino-3,5-diiodo-
Anthranilic acid, 3,5-diiodo-
3,5-Diiodoanthranilic acid
NSC 4508

Work with 2-Amino-3,5-diiodobenzoic 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

2,3,5-Triiodobenzoic acid88-82-465 % similar 2-Amino-3-iodobenzoic acid20776-55-058 % similar 2,5-Diiodobenzoic acid14192-12-257 % similar 3-Amino-2,4,6-triiodobenzoic acid3119-15-153 % similar 5-Iodosalicylic acid119-30-247 % similar 5-Iodo-2-methylbenzoic acid54811-38-047 % similar 3,5-Diiodobenzoic acid19094-48-547 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-446 % similar

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

Same formula

4-Amino-3,5-diiodobenzoic acid2122-61-4

Elsewhere

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