3-Bromo-2-methylphenol

C₇H₇BrOCAS 7766-23-6187.04 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₇BrO
Molar mass: 187.04 g/mol
Exact mass: 185.9680 Da
logP: 2.46Crippen 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

7766-23-6

SMILES

CC1=C(C=CC=C1Br)O

InChIKey

WPDXAMRGYMDTOV-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3

Weigh it out

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

Work with 3-Bromo-2-methylphenol

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-Methylresorcinol608-25-368 % similar 2,6-Dibromotoluene69321-60-464 % similar Dimethylphenol1300-71-658 % similar 2,3-Dimethylphenol526-75-058 % similar 3-Chloro-2-methylphenol3260-87-556 % similar 3-Amino-2-methylphenol53222-92-756 % similar 2-Bromophenol95-56-754 % similar 3-Bromobenzene-1,2-diol14381-51-254 % similar

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

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 4-Bromo-3-methylphenol14472-14-1 3-Bromobenzenemethanol15852-73-0 2-Bromobenzyl alcohol18982-54-2 2-Bromo-3-methyl-phenol22061-78-5 4-Bromo-2-methylphenol2362-12-1 3-Bromoanisole2398-37-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook