chempirical

2-Bromo-3-fluoroanisole

C7H6BrFOCAS 446-59-3205.03 g/mol

Open in Covalent MOL file
OFBr
Aryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
446-59-3
SMILES
COC1=C(C(=CC=C1)F)Br
InChIKey
RNUBPKHSQXYYCV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3

Weigh it out

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Work with 2-Bromo-3-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

2-Bromo-1,3-dimethoxybenzene16932-45-969 % similar 2-Fluoroanisole321-28-861 % similar 1,2-Difluoro-3-methoxybenzene134364-69-560 % similar 2-Bromo-1,3-difluorobenzene64248-56-258 % similar 2-Fluoro-6-methoxyaniline446-61-756 % similar 3-Fluoro-2-iodoanisole7079-54-156 % similar 2-Fluoro-6-methoxyphenol73943-41-656 % similar 2,3-Dibromo-1,4-dimethoxybenzene5030-61-556 % similar

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

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 3-Bromo-4-fluoroanisole1161497-23-9 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

Elsewhere

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