1-Bromo-3-fluoro-5-nitrobenzene

C₆H₃BrFNO₂CAS 7087-65-2220.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃BrFNO₂
Molar mass: 220.00 g/mol
Exact mass: 218.9331 Da
logP: 2.50Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
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 2 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

7087-65-2

SMILES

O=[N+]([O-])c1cc(F)cc(Br)c1

InChIKey

SWXVEPMSQBEVRH-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

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Names and synonyms

1 names

Benzene, 1-bromo-3-fluoro-5-nitro-

Work with 1-Bromo-3-fluoro-5-nitrobenzene

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-3,5-dinitrobenzene18242-39-274 % similar 1,3-Difluoro-5-nitrobenzene2265-94-374 % similar 3,5-Dibromonitro benzene6311-60-074 % similar 1-Bromo-3-chloro-5-nitrobenzene219817-43-361 % similar 3-Fluoro-5-nitrobenzenamine2369-12-261 % similar 1-Fluoro-3-iodo-5-nitrobenzene3819-88-361 % similar 1-Fluoro-3-methyl-5-nitrobenzene499-08-161 % similar 3-Bromo-5-nitrobenzotrifluoride630125-49-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-nitrobenzene185331-69-5 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-5 4-Bromo-2-fluoro-1-nitrobenzene321-23-3 4-Bromo-1-fluoro-2-nitrobenzene364-73-8 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-7 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 3-Bromo-2-fluoronitrobenzene58534-94-4

Elsewhere

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