chempirical

2-Dibenzofuransulfonic acid

C12H8O4SCAS 83863-63-2248.25 g/mol

Open in Covalent MOL file
OSOHOO
Sulfonic acid

Properties

Molecular formula
C12H8O4S
Molar mass
248.25 g/mol
Exact mass
248.0143 Da
logP
2.83Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
83863-63-2
SMILES
O=S(=O)(O)c1ccc2oc3ccccc3c2c1
InChIKey
JANFYPHFIPGYTQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)

Weigh it out

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

Work with 2-Dibenzofuransulfonic 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

Naphthalene-2-sulfonic acid120-18-350 % similar 2-Dibenzofuranol86-77-150 % similar 2,6-Naphthalenedisulfonic acid581-75-947 % similar Dibenzofuran132-64-947 % similar 2-Bromodibenzofuran86-76-046 % similar 2,7-Naphthalenedisulfonic acid92-41-146 % similar Benzenesulfonic acid98-11-345 % similar 8-Amino-2-naphthalenesulfonic acid119-28-845 % similar

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

Elsewhere

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