Benzenediazonium, 4-chloro-2-methyl-, 1,5-naphthalenedisulfonate (1:1)

C₁₇H₁₃ClN₂O₆S₂CAS 51503-28-7440.87 g/mol

Open in Covalent MOL file

Aryl halide Sulfonic acid

Properties

Molecular formula: C₁₇H₁₃ClN₂O₆S₂
Molar mass: 440.87 g/mol
Exact mass: 439.9904 Da
logP: 4.12Crippen estimate
Polar surface area: 139.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2

Identifiers

CAS number

51503-28-7

SMILES

Cc1cc(Cl)ccc1[N+]#N.O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cccc12

InChIKey

YKRLYXJCIARNKF-UHFFFAOYSA-M

InChI

InChI=1S/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-4-6(8)2-3-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-1

Weigh it out

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

Names and synonyms

1 names

1,5-Naphthalenedisulfonic acid, ion(1-), 4-chloro-2-methylbenzenediazonium

Work with Benzenediazonium, 4-chloro-2-methyl-, 1,5-naphthalenedisulfonate (1:1)

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

Armstrong'S acid81-04-942 % similar 1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt887-76-341 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-741 % similar Disodium 1,5-naphthalenedisulfonate1655-29-440 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-239 % similar Naphthalene-1-sulfonic acid85-47-238 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-438 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook