Dibenzofuran-2-sulphonic acid

C₁₂H₈O₄SCAS 83863-63-2248.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈O₄S
Molar mass: 248.25 g/mol
Exact mass: 248.0143 Da
logP: 2.83Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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.

Names and synonyms

1 names

2-Dibenzofuransulfonic acid

Work with Dibenzofuran-2-sulphonic 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 Dibenzofuran-3-sulfonyl chloride42138-14-750 % similar 2-Dibenzofuranol86-77-150 % similar 2,6-Naphthalenedisulfonic acid581-75-947 % similar Dibenzofuran132-64-947 % similar Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-646 % similar Naphthalene-2-sulfonic acid hydrate6036-00-646 % similar 2-Iododibenzofuran5408-56-046 % similar

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

Elsewhere

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