4-Butylbenzoyl chloride

C₁₁H₁₃ClOCAS 28788-62-7196.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃ClO
Molar mass: 196.67 g/mol
Exact mass: 196.0655 Da
Boiling point: 155–156 °C (at 26 Torr)
logP: 3.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

28788-62-7

SMILES

CCCCc1ccc(C(=O)Cl)cc1

InChIKey

OUOWCSJYDCPVDM-UHFFFAOYSA-N

InChI

InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3

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

Names and synonyms

5 names

Benzoyl chloride, 4-butyl-
Benzoyl chloride, p-butyl-
p-Butylbenzoyl chloride
4-n-Butylbenzoyl chloride
p-n-Butylbenzoyl chloride

Work with 4-Butylbenzoyl 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-Hexylbenzoyl chloride50606-95-687 % similar 4-Heptylbenzoyl chloride50606-96-787 % similar 4-Propylbenzoyl chloride52710-27-779 % similar 4-Ethylbenzoyl chloride16331-45-665 % similar 4-Butoxybenzoyl chloride33863-86-461 % similar 4-N-Butylbenzamide107377-07-161 % similar 1-(4-Butylphenyl)ethanone37920-25-561 % similar 4-Butylbenzoic acid20651-71-259 % similar

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

Same formula

4-tert-Butylbenzoyl chloride1710-98-1 1-(4-Chlorophenyl)-1-pentanone25017-08-7

Elsewhere

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