chempirical

5-Bromo-2-chloroanisole

C7H6BrClOCAS 16817-43-9221.48 g/mol

Open in Covalent MOL file
OBrCl
Aryl halideEther

Properties

Molecular formula
C7H6BrClO
Molar mass
221.48 g/mol
Exact mass
219.9291 Da
Melting point
27–28 °C
Boiling point
114 °C (at 9 Torr)
logP
3.11Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
16817-43-9
SMILES
COc1cc(Br)ccc1Cl
InChIKey
UAMVKOTWSHJOSY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrClO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-bromo-1-chloro-2-methoxy-
  • Anisole, 5-bromo-2-chloro-
  • 4-Bromo-1-chloro-2-methoxybenzene
  • 2-Chloro-5-bromoanisole
  • 4-Chloro-3-methoxybromobenzene
  • 5-Bromo-2-chloro-1-methoxybenzene
  • 3-Bromo-6-chloroanisole
  • 1-Bromo-4-chloro-3-methoxybenzene

Work with 5-Bromo-2-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

Bromoveratrole2859-78-164 % similar 1,4-Dichloro-2-methoxybenzene1984-58-360 % similar 4-Bromo-2-methoxybenzenamine59557-91-458 % similar 5-Bromo-2-chlorotoluene54932-72-857 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-256 % similar 1-Chloro-4-fluoro-2-methoxybenzene450-89-556 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-656 % similar 2-Chloroanisole766-51-855 % similar

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

Same formula

1-Bromo-4-chloro-2-methoxybenzene174913-09-8 3-Bromo-4-chloroanisole2732-80-1 1-Bromo-2-chloro-4-methoxybenzene50638-46-5 2-Bromo-4-chloroanisole60633-25-2 4-Bromo-6-chloro-2-cresol7530-27-0

Elsewhere

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