chempirical

1-(4-Bromophenyl)cyclopropane-1-carboxylic acid

C10H9BrO2CAS 345965-52-8241.08 g/mol

Open in Covalent MOL file
BrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H9BrO2
Molar mass
241.08 g/mol
Exact mass
239.9786 Da
logP
2.57Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
345965-52-8
SMILES
C1CC1(C2=CC=C(C=C2)Br)C(=O)O
InChIKey
BYJIXWOWTNEVFO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

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Names and synonyms

1 names
  • 1-(4-Bromophenyl)cyclopropanecarboxylic acid

Work with 1-(4-Bromophenyl)cyclopropane-1-carboxylic 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-Phenylcyclopropanecarboxylic acid6120-95-267 % similar 1-(p-Chlorophenyl)cyclopropanecarboxylic acid72934-37-366 % similar 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-659 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-158 % similar 1-Phenylcyclopentanecarboxylic acid77-55-458 % similar 1-(p-Chlorophenyl)cyclobutanecarboxylic acid50921-39-657 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-756 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-856 % similar

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

Elsewhere

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