chempirical

2-Bromo-4-chloroanisole

C7H6BrClOCAS 60633-25-2221.48 g/mol

Open in Covalent MOL file
OClBr
Aryl halideEther

Properties

Molecular formula
C7H6BrClO
Molar mass
221.48 g/mol
Exact mass
219.9291 Da
Density
1.617 g/mL (at 20 °C)
Melting point
29–30 °C
Boiling point
127–130 °C (at 12 Torr)
logP
3.11Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
60633-25-2
SMILES
COc1ccc(Cl)cc1Br
InChIKey
YJEMGEBDXDPBSP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrClO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 2-bromo-4-chloro-1-methoxy-
  • 2-Bromo-4-chloro-1-methoxybenzene
  • 4-Chloro-2-bromoanisole
  • 1-Bromo-5-chloro-2-methoxybenzene

Work with 2-Bromo-4-chloroanisole

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

2,4-Dibromoanisole21702-84-160 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 2-Bromo-4-methylanisole22002-45-558 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-358 % similar 5-Chloro-2-methoxyaniline95-03-458 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-456 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-556 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-856 % similar

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

Same formula

5-Bromo-2-chloroanisole16817-43-9 1-Bromo-4-chloro-2-methoxybenzene174913-09-8 3-Bromo-4-chloroanisole2732-80-1 1-Bromo-2-chloro-4-methoxybenzene50638-46-5 4-Bromo-6-chloro-2-cresol7530-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook