1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene

C₇H₅BrClFOCAS 146447-18-9239.47 g/mol

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Aryl halide Ether

Properties

Molecular formula: C₇H₅BrClFO
Molar mass: 239.47 g/mol
Exact mass: 237.9196 Da
logP: 3.25Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146447-18-9

SMILES

COC1=CC(=C(C=C1Cl)F)Br

InChIKey

KHRHCBZTZQFNDK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClFO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,1H3

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Names and synonyms

1 names

5-Bromo-2-chloro-4-fluoroanisole

Work with 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene

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-2,5-difluoro-4-methoxybenzene202865-60-963 % similar 4-Bromo-5-fluoro-2-methoxyaniline330794-03-162 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-655 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-555 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-251 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-250 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-150 % similar 3-Bromo-4-fluoroanisole1161497-23-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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