chempirical

3-(2-Bromophenyl)propionic acid

C9H9BrO2CAS 15115-58-9229.07 g/mol

Open in Covalent MOL file
OOHBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H9BrO2
Molar mass
229.07 g/mol
Exact mass
227.9786 Da
logP
2.47Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
15115-58-9
SMILES
C1=CC=C(C(=C1)CCC(=O)O)Br
InChIKey
AOACQJFIGWNQBC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Weigh it out

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

Work with 3-(2-Bromophenyl)propionic 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

2-Bromophenylacetic acid18698-97-068 % similar Melilotic acid495-78-364 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-457 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-857 % similar 1,4-Benzenedipropanoic acid4251-21-253 % similar 1H-Indole-3-propanoic acid830-96-653 % similar 1,2-Benzenediacetic acid7500-53-052 % similar 2,5-Dibromobenzeneacetic acid203314-28-751 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(4-Bromophenyl)propionic acid1643-30-7

Elsewhere

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