Clomoxir

C₁₄H₁₇ClO₃CAS 88431-47-4268.74 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Epoxide Ether

Properties

Molecular formula: C₁₄H₁₇ClO₃
Molar mass: 268.74 g/mol
Exact mass: 268.0866 Da
logP: 3.30Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88431-47-4

SMILES

C1C(O1)(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChIKey

ACZKTJZXXSHIGF-UHFFFAOYSA-N

InChI

InChI=1S/C14H17ClO3/c15-12-7-5-11(6-8-12)4-2-1-3-9-14(10-18-14)13(16)17/h5-8H,1-4,9-10H2,(H,16,17)

Weigh it out

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

Names and synonyms

1 names

2-[5-(4-Chlorophenyl)pentyl]oxirane-2-carboxylic acid

Work with Clomoxir

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 acid58880-37-857 % similar 1-(p-Chlorophenyl)cyclobutanecarboxylic acid50921-39-651 % similar 1-(p-Chlorophenyl)cyclopropanecarboxylic acid72934-37-350 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-747 % similar Etomoxir124083-20-145 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-645 % similar 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-828934-41-445 % similar 1-Phenylcyclopentanecarboxylic acid77-55-444 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook