3-Bromo-2-fluoronitrobenzene

C₆H₃BrFNO₂CAS 58534-94-4220.00 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 swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

58534-94-4

SMILES

C1=CC(=C(C(=C1)Br)F)[N+](=O)[O-]

InChIKey

MWYFDHRLYOKUMH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-Bromo-2-fluoro-3-nitrobenzene

Work with 3-Bromo-2-fluoronitrobenzene

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

1,2-Difluoro-3-nitrobenzene6921-22-868 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-266 % similar 1-Bromo-2-nitrobenzene577-19-563 % similar 2-Fluoro-3-nitrophenol179816-26-362 % similar 2-Fluoro-1-methyl-3-nitrobenzene437-86-562 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-461 % similar 1-Bromo-5-nitronaphthalene5328-76-761 % similar 2-Bromo-6-nitrophenol13073-25-159 % 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 2-Bromo-1-fluoro-3-nitrobenzene59255-94-6

Elsewhere

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