1-(p-Chlorophenyl)cyclobutanecarboxylic acid

C₁₁H₁₁ClO₂CAS 50921-39-6210.66 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₁ClO₂
Molar mass: 210.66 g/mol
Exact mass: 210.0448 Da
logP: 2.85Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50921-39-6

SMILES

O=C(O)C1(c2ccc(Cl)cc2)CCC1

InChIKey

XYSRHOKREWGGFE-UHFFFAOYSA-N

InChI

InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)

Weigh it out

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

Names and synonyms

3 names

1-(4-Chlorophenyl)cyclobutanecarboxylic acid
Cyclobutanecarboxylic acid, 1-(4-chlorophenyl)-
1-(4-Chlorophenyl)-1-cyclobutanecarboxylic acid

Work with 1-(p-Chlorophenyl)cyclobutanecarboxylic acid

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

1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-890 % similar 1-(p-Chlorophenyl)cyclopropanecarboxylic acid72934-37-386 % similar 1-Phenylcyclopentanecarboxylic acid77-55-466 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-764 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-259 % similar 1-(4-Bromophenyl)cyclopropane-1-carboxylic acid345965-52-857 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-657 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-153 % similar

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

Elsewhere

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