chempirical

4-Butoxybenzoyl chloride

C11H13ClO2CAS 33863-86-4212.67 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C11H13ClO2
Molar mass
212.67 g/mol
Exact mass
212.0604 Da
Boiling point
160 °C (at 13 Torr)
logP
3.24Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
33863-86-4
SMILES
CCCCOc1ccc(C(=O)Cl)cc1
InChIKey
KMGCTFHTBKBITO-UHFFFAOYSA-N
InChI
InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzoyl chloride, 4-butoxy-
  • Benzoyl chloride, p-butoxy-
  • p-Butoxybenzoyl chloride
  • p-Butyloxybenzoyl chloride
  • 4-n-Butoxybenzoyl chloride
  • p-n-Butoxybenzoic acid chloride
  • p-Butoxybenzoic acid chloride
  • 4-n-Butyloxybenzoyl chloride
  • 4-Butyloxybenzoic acid chloride

Work with 4-Butoxybenzoyl 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-(Hexyloxy)benzoyl chloride39649-71-388 % similar 4-Ethoxybenzoyl chloride16331-46-771 % similar 1-(4-Butoxyphenyl)ethanone5736-89-065 % similar 4-Butoxybenzoic acid1498-96-063 % similar 4-Butylbenzoyl chloride28788-62-761 % similar 4-Hexylbenzoyl chloride50606-95-658 % similar 4-Heptylbenzoyl chloride50606-96-758 % similar 4-(Pentyloxy)benzoic acid15872-41-057 % similar

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

Same formula

2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-0 4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-8 4-Chlorobutyl benzoate946-02-1

Elsewhere

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