3-Bromo-2-methylphenol

C7H7BrOCAS 7766-23-6187.04 g/mol

Open in Covalent MOL file
BrOH
Aryl halidePhenol

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
logP
2.46Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
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 2-Amino-o-cresol53222-92-756 % 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

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