2-Amino-4,5-dichlorobenzoic acid

C₇H₅Cl₂NO₂CAS 20776-61-8206.02 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
logP: 2.27Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

20776-61-8

SMILES

C1=C(C(=CC(=C1Cl)Cl)N)C(=O)O

InChIKey

MQWFRBVVABTUKS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)

Weigh it out

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

Work with 2-Amino-4,5-dichlorobenzoic 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

4,5-Dichlorophthalic acid56962-08-473 % similar 2-Amino-4-bromo-5-chlorobenzoic acid150812-32-172 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-167 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-463 % similar 3-Amino-4-chlorobenzoic acid2840-28-061 % similar 2-Amino-5-chlorobenzoic acid635-21-261 % similar 2-Amino-6-chlorobenzoic acid2148-56-358 % similar 2-Amino-3-chlorobenzoic acid6388-47-258 % 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 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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