chempirical

4-Bromo-2-methylanisole

C8H9BrOCAS 14804-31-0201.06 g/mol

Open in Covalent MOL file
OBr
Halogen

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Melting point
67.5–68.5 °C
Boiling point
126–128 °C (at 10 Torr)
logP
2.77Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
14804-31-0
SMILES
COc1ccc(Br)cc1C
InChIKey
UDLRGQOHGYWLCS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-bromo-1-methoxy-2-methyl-
  • Anisole, 4-bromo-2-methyl-
  • 4-Bromo-1-methoxy-2-methylbenzene
  • 2-Methoxy-5-bromotoluene
  • 5-Bromo-2-methoxytoluene
  • 1-Bromo-4-methoxy-3-methylbenzene
  • 1-Methoxy-2-methyl-4-bromobenzene
  • 1-Bromo-3-methyl-4-methoxybenzene

Work with 4-Bromo-2-methylanisole

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 (+)-1-(3-Bromophenyl)ethanol134615-24-0 2-Bromo-4-methylanisole22002-45-5 4-Bromo-2,6-dimethylphenol2374-05-2 1-Bromo-3-ethoxybenzene2655-84-7 4-Bromo-3-methylanisole27060-75-9 4-Methoxybenzyl bromide2746-25-0

Elsewhere

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