5-Amino-2-chlorobenzenesulfonic acid

C₆H₆ClNO₃SCAS 88-43-7207.63 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 310 °C (decomposes)
logP: 1.17Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

88-43-7

SMILES

Nc1ccc(Cl)c(S(=O)(=O)O)c1

InChIKey

VPXCXBHLKDPWQV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO3S/c7-5-2-1-4(8)3-6(5)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

9 names

Benzenesulfonic acid, 5-amino-2-chloro-
Metanilic acid, 6-chloro-
p-Chloroaniline-m-sulfonic acid
4-Chloroaniline-3-sulfonic acid
4-Chloro-3-sulfoaniline
6-Chlorometanilic acid
3-Amino-6-chlorobenzenesulfonic acid
1-Amino-4-chlorobenzene-3-sulfonic acid
NSC 15346

Work with 5-Amino-2-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

2,2′-Benzidinedisulfonic acid117-61-366 % similar 2,5-Diaminobenzenesulfonic acid88-45-964 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-760 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-860 % similar 2,4-Diaminobenzenesulfonic acid88-63-159 % similar 4-Amino-2,5-dichlorobenzenesulfonic acid88-50-657 % similar 2,4,5-Trichlorobenzenesulfonic acid6378-25-256 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-355 % similar

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

Same formula

2-Amino-5-chlorobenzenesulfonic acid133-74-4 3-Amino-4-chlorobenzenesulfonic acid98-36-2

Elsewhere

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