3-Bromo-4-fluoroanisole

C₇H₆BrFOCAS 1161497-23-9205.03 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrFO
Molar mass: 205.03 g/mol
Exact mass: 203.9586 Da
logP: 2.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1161497-23-9

SMILES

COC1=CC(=C(C=C1)F)Br

InChIKey

LYIGJBQYDRJPIR-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrFO/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

1 names

2-Bromo-1-fluoro-4-methoxybenzene

Work with 3-Bromo-4-fluoroanisole

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

4-Bromo-3-fluoroanisole408-50-472 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-472 % similar 1,2-Difluoro-4-methoxybenzene115144-40-664 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-760 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-758 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-858 % similar 2-Bromo-4-methoxyphenol17332-11-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 4-Bromo-2-fluorobenzyl alcohol188582-62-9 2-Bromo-5-fluorobenzenemethanol202865-66-5 (3-Bromo-5-fluorophenyl)methanol216755-56-5 (4-Bromo-3-fluorophenyl)methanol222978-01-0 2-Bromo-4-fluorobenzyl alcohol229027-89-8 4-Bromo-2-fluoroanisole2357-52-0 3-Bromo-2-fluorobenzyl Alcohol261723-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook