chempirical

2-Amino-4,5-dichlorobenzenesulfonic acid

C6H5Cl2NO3SCAS 6331-96-0242.07 g/mol

Open in Covalent MOL file
NH2ClClSOOHO
Aryl halidePrimary amineSulfonic acid

Properties

Molecular formula
C6H5Cl2NO3S
Molar mass
242.07 g/mol
Exact mass
240.9367 Da
logP
1.82Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
6331-96-0
SMILES
Nc1cc(Cl)c(Cl)cc1S(=O)(=O)O
InChIKey
AKLDPNVZTZIVFA-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Benzenesulfonic acid, 2-amino-4,5-dichloro-
  • 3,4-Dichloroaniline-6-sulfonic acid
  • NSC 37399
  • 2-Amino-4,5-dichlorobenzene-1-sulfonic acid
  • 2-Azaniumyl-4,5-dichlorobenzenesulfonate

Work with 2-Amino-4,5-dichlorobenzenesulfonic 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-4-chloro-5-methylbenzenesulfonic acid88-51-773 % similar C Amine88-53-973 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-868 % similar 2,4,5-Trichlorobenzenesulfonic acid6378-25-266 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-459 % similar 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-858 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-754 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-254 % similar

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

Same formula

4-Amino-2,5-dichlorobenzenesulfonic acid88-50-6

Elsewhere

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