4-(4-Bromophenyl)butanoic acid

C10H11BrO2CAS 35656-89-4243.10 g/mol

Open in Covalent MOL file
OHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H11BrO2
Molar mass
243.10 g/mol
Exact mass
241.9942 Da
logP
2.86Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35656-89-4
SMILES
C1=CC(=CC=C1CCCC(=O)O)Br
InChIKey
AGIIMNQWNPUJPT-UHFFFAOYSA-N
InChI
InChI=1S/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • 4-(4-Bromophenyl)butyric Acid

Work with 4-(4-Bromophenyl)butanoic 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

3-(4-Bromophenyl)propionic acid1643-30-779 % similar 4-Hydroxybenzenebutanoic acid7021-11-671 % similar 4-Phenylbutyric acid1821-12-167 % similar 4-Bromophenylacetic acid1878-68-865 % similar 4-(4-Aminophenyl)butanoic acid15118-60-264 % similar 4-Methylbenzenebutanoic acid4521-22-664 % similar 4-(4-Fluorophenyl)butanoic acid589-06-064 % similar Benzenepentanoic acid2270-20-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromomethyl)phenylpropionic acid111128-12-2 Methyl 4-(2-bromoethyl)benzoate136333-97-6 Ethyl 2-(4-bromophenyl)acetate14062-25-0 Ethyl 4-bromo-3-methylbenzoate160313-69-9 Ethyl 4-(bromomethyl)benzoate26496-94-6 Ethyl α-bromobenzeneacetate2882-19-1 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-6 Methyl 3-(2-bromophenyl)propanoate66191-86-4

Elsewhere

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