3-Bromo-1-fluoronaphthalene

C₁₀H₆BrFCAS 13772-59-3225.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₆BrF
Molar mass: 225.06 g/mol
Exact mass: 223.9637 Da
logP: 3.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% 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

13772-59-3

SMILES

C1=CC=C2C(=C1)C=C(C=C2F)Br

InChIKey

JYZPGEKVRNVONN-UHFFFAOYSA-N

InChI

InChI=1S/C10H6BrF/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H

Weigh it out

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

Work with 3-Bromo-1-fluoronaphthalene

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-Bromophenanthrene62162-97-453 % similar 1-Fluoronaphthalene321-38-050 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-246 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-946 % similar 3-Bromophenanthrene715-50-445 % similar 9-Bromoanthracene1564-64-345 % similar 1-Bromo-3,4-difluorobenzene348-61-845 % similar 2-Bromonaphthalene580-13-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-6-fluoronaphthalene324-41-4 1-Bromo 4-fluoronaphthalene341-41-3

Elsewhere

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