3-(3-Bromophenyl)prop-2-yn-1-ol

C₉H₇BrOCAS 170859-80-0211.06 g/mol

Open in Covalent MOL file

Alcohol Alkyne Aryl halide

Properties

Molecular formula: C₉H₇BrO
Molar mass: 211.06 g/mol
Exact mass: 209.9680 Da
logP: 1.79Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

170859-80-0

SMILES

C1=CC(=CC(=C1)Br)C#CCO

InChIKey

UNSAJINGUOTTRA-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,6H2

Weigh it out

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Work with 3-(3-Bromophenyl)prop-2-yn-1-ol

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-Phenyl-2-propyn-1-ol1504-58-157 % similar 3-Bromobenzonitrile6952-59-653 % similar 1-Bromo-3-ethynylbenzene766-81-448 % similar 3-(4-Chloro-phenyl)-prop-2-yn-1-ol37614-57-647 % similar 3-Bromobenzenemethanol15852-73-044 % similar 1,3-Dibromobenzene108-36-143 % similar 3-Bromophenethyl alcohol28229-69-842 % similar 1-Bromo-3-fluorobenzene1073-06-941 % similar

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

Same formula

7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-4 6-Bromoindanone14548-39-1 4-Bromo-1-indanone15115-60-3 2-Bromo-1-indanone1775-27-5 5-Bromo-1-indanone34598-49-7 α-Bromocinnamaldehyde5443-49-2 4-Bromo-2-indanone846032-36-8

Elsewhere

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