Dibenzofuran-3-sulfonyl chloride

C₁₂H₇ClO₃SCAS 42138-14-7266.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇ClO₃S
Molar mass: 266.69 g/mol
Exact mass: 265.9804 Da
logP: 3.51Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

42138-14-7

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)S(=O)(=O)Cl

InChIKey

CGJNXSWIIBSXII-UHFFFAOYSA-N

InChI

InChI=1S/C12H7ClO3S/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

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

Names and synonyms

1 names

8-Oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonyl chloride

Work with Dibenzofuran-3-sulfonyl chloride

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

Dibenzofuran-2-sulphonic acid83863-63-250 % similar 2-Naphthalenesulfonyl chloride93-11-850 % similar 1,3-Benzenedisulfonyl dichloride585-47-748 % similar Dibenzofuran132-64-947 % similar 3-Bromodibenzofuran26608-06-046 % similar 3-Dibenzofuranamine4106-66-546 % similar Benzenesulfonyl chloride98-09-945 % similar Coumarin-6-sulfonyl chloride10543-42-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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