3,5-Dichloroanthranilic acid

C₇H₅Cl₂NO₂CAS 2789-92-6206.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅Cl₂NO₂
Molar mass: 206.02 g/mol
Exact mass: 204.9697 Da
Melting point: 223 °C
logP: 2.27Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

2789-92-6

SMILES

Nc1c(Cl)cc(Cl)cc1C(=O)O

InChIKey

KTHTXLUIEAIGCD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/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

5 names

Benzoic acid, 2-amino-3,5-dichloro-
Anthranilic acid, 3,5-dichloro-
2-Amino-3,5-dichlorobenzoic acid
3,5-Dichloro-2-aminobenzoic acid
NSC 1116

Work with 3,5-Dichloroanthranilic 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-5-chloro-3-methylbenzoic acid20776-67-467 % similar 2,3,5-Trichlorobenzoic acid50-73-765 % similar 2-Amino-3-chlorobenzoic acid6388-47-265 % similar 3,5-Dichlorosalicylic acid320-72-963 % similar 2,5-Dichlorobenzoic acid50-79-359 % similar 2,4,6-Trichlorobenzoic acid50-43-158 % similar 2,4-Dichlorobenzoic acid50-84-057 % similar 2-Amino-5-chlorobenzoic acid635-21-254 % similar

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

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 Chloramben133-90-4 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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