4-Butoxybenzenesulfonyl chloride

C₁₀H₁₃ClO₃SCAS 1138-56-3248.72 g/mol

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Properties

Molecular formula: C₁₀H₁₃ClO₃S
Molar mass: 248.72 g/mol
Exact mass: 248.0274 Da
Boiling point: 100 °C (at 10 Torr)
logP: 2.79Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

1138-56-3

SMILES

CCCCOc1ccc(S(=O)(=O)Cl)cc1

InChIKey

HGKWMUBXVMFXNC-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3

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Names and synonyms

7 names

Benzenesulfonyl chloride, 4-butoxy-
Benzenesulfonyl chloride, p-butoxy-
p-Butoxyphenylsulfonyl chloride
p-Butoxybenzenesulfonyl chloride
4-n-Butoxybenzenesulfonyl chloride
4-Butoxyphenylsulfonyl chloride
4-Butoxybenzene-1-sulfonyl chloride

Work with 4-Butoxybenzenesulfonyl 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

4-Ethoxy-benzenesulfonyl chloride1132-17-871 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-153 % similar 4-Methoxybenzenesulfonyl chloride98-68-053 % similar Butyl phenyl ether1126-79-051 % similar 4-Butoxyphenol122-94-151 % similar 4-Butoxybenzenamine4344-55-251 % similar 4-Butoxybenzaldehyde5736-88-951 % similar 4-Butoxybenzoyl chloride33863-86-451 % similar

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

Elsewhere

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