1-Bromo-4-chloro-2-methoxybenzene

C₇H₆BrClOCAS 174913-09-8221.48 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
logP: 3.11Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

174913-09-8

SMILES

COc1cc(Cl)ccc1Br

InChIKey

CQGYLDZGJLVLMK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-bromo-4-chloro-2-methoxy-
2-Bromo-5-chloroanisole

Work with 1-Bromo-4-chloro-2-methoxybenzene

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-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 1,4-Dichloro-2-methoxybenzene1984-58-360 % similar 4-Chloro-2-methoxy-1-methylbenzene40794-04-558 % similar 4-Chloro-2-methoxybenzenamine93-50-558 % similar 4-Bromo-3-methoxyphenol102127-34-456 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-353 % similar 5-Chloro-2-methoxyaniline95-03-453 % similar 2-Bromoanisole578-57-452 % similar

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

Same formula

5-Bromo-2-chloroanisole16817-43-9 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

PubChem CAS Common Chemistry NIST WebBook