2,3-Dihydrobenzofuran-5-sulfonyl Chloride

C₈H₇ClO₃SCAS 115010-11-2218.65 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇ClO₃S
Molar mass: 218.65 g/mol
Exact mass: 217.9804 Da
logP: 1.55Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

115010-11-2

SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)Cl

InChIKey

RVWYPBARHGPULM-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2

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Names and synonyms

1 names

2,3-Dihydro-1-benzofuran-5-sulfonyl chloride

Work with 2,3-Dihydrobenzofuran-5-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

3,4-Dimethoxybenzenesulfonyl chloride23095-31-050 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-846 % similar 2,3-Dihydrobenzofuran-5-carboxaldehyde55745-70-546 % similar 1,3-Benzenedisulfonyl dichloride585-47-744 % similar (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-744 % similar 5-(2-Bromoethyl)-2,3-dihydrobenzofuran127264-14-644 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-743 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-343 % similar

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

Same formula

4-Acetylbenzenesulfonyl chloride1788-10-9

Elsewhere

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