2-Bromo-1-fluoro-3-nitrobenzene

C₆H₃BrFNO₂CAS 59255-94-6220.00 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 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

59255-94-6

SMILES

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

InChIKey

ICIVWQQTOYDXDM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-fluoronitrobenzene

Work with 2-Bromo-1-fluoro-3-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

1,2-Difluoro-3-nitrobenzene6921-22-866 % similar 1-Fluoro-2-nitrobenzene1493-27-265 % similar 2-Bromo-1-chloro-3-nitrobenzene19128-48-462 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-962 % similar 2-Fluoro-6-nitrophenol1526-17-660 % similar 2-Fluoro-6-nitrobenzenamine17809-36-860 % similar 2-Bromo-3-nitrotoluene41085-43-260 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-860 % 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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