2-Amino-5-chlorobenzenesulfonic acid

C₆H₆ClNO₃SCAS 133-74-4207.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₆ClNO₃S
Molar mass: 207.63 g/mol
Exact mass: 206.9757 Da
Melting point: above 325 °C (decomposes)
logP: 1.17Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

133-74-4

SMILES

Nc1ccc(Cl)cc1S(=O)(=O)O

InChIKey

ZCGVPUAAMCMLTM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

5 names

Benzenesulfonic acid, 2-amino-5-chloro-
p-Chloroaniline-o-sulfonic acid
4-Chloroaniline-2-sulfonic acid
1-Amino-4-chloro-2-benzenesulfonic acid
2-Amino-5-chlorobenzene-1-sulfonic acid

Work with 2-Amino-5-chlorobenzenesulfonic 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

Aniline-2,4-disulfonic acid137-51-964 % similar 2,5-Diaminobenzenesulfonic acid88-45-964 % similar 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-361 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-059 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-858 % similar 2-Amino-5-methoxybenzenesulfonic acid13244-33-257 % similar 4-Amino-2,5-dichlorobenzenesulfonic acid88-50-653 % similar Fast yellow ab101-50-853 % similar

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

Same formula

5-Amino-2-chlorobenzenesulfonic acid88-43-7 3-Amino-4-chlorobenzenesulfonic acid98-36-2

Elsewhere

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