3-Bromo-4-chloroanisole

C₇H₆BrClOCAS 2732-80-1221.48 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrClO
Molar mass: 221.48 g/mol
Exact mass: 219.9291 Da
Boiling point: 91–93 °C (at 2 Torr)
logP: 3.11Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2732-80-1

SMILES

COc1ccc(Cl)c(Br)c1

InChIKey

SQHMXVXKKCXIGN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrClO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 2-bromo-1-chloro-4-methoxy-
Anisole, 3-bromo-4-chloro-
2-Bromo-1-chloro-4-methoxybenzene
1-Bromo-2-chloro-5-methoxybenzene

Work with 3-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

1,2-Dichloro-4-methoxybenzene36404-30-564 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-960 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 2-Chloro-5-methoxybenzenamine2401-24-358 % similar 3-Bromo-4-fluoroanisole1161497-23-956 % similar 2-Bromo-4-methoxyphenol17332-11-556 % similar 2-Chloro-4-methoxyphenol18113-03-656 % similar 2-Chloro-5-methoxyphenol18113-04-756 % 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 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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