1-Butyl-4-chlorobenzene

C₁₀H₁₃ClCAS 15499-27-1168.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃Cl
Molar mass: 168.66 g/mol
Exact mass: 168.0706 Da
logP: 3.68Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

15499-27-1

SMILES

CCCCc1ccc(Cl)cc1

InChIKey

SKNUPXIXICTRJE-UHFFFAOYSA-N

InChI

InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

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

Names and synonyms

4 names

Benzene, 1-butyl-4-chloro-
p-Chlorobutylbenzene
4-Butylchlorobenzene
4-Butyl-1-chlorobenzene

Work with 1-Butyl-4-chlorobenzene

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

n-Butylbenzene104-51-858 % similar 1-Chloro-4-ethylbenzene622-98-056 % similar 4-Butylaniline104-13-256 % similar 4-Butylphenol1638-22-856 % similar 1-Bromo-4-butylbenzene41492-05-156 % similar 4-Butylbenzonitrile20651-73-452 % similar 4-Butylbenzaldehyde1200-14-250 % similar 4-Butylbenzoyl chloride28788-62-750 % similar

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

Same formula

2,4,6-Trimethylbenzyl chloride1585-16-6 4-Isopropylbenzyl chloride2051-18-5 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 1-Chloro-4-phenylbutane4830-93-7 Neophyl chloride515-40-2 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-2

Elsewhere

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