1-Bromo-5-fluoro-2-methyl-3-nitrobenzene

C₇H₅BrFNO₂CAS 502496-33-5234.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 2.80Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

502496-33-5

SMILES

Cc1c(Br)cc(F)cc1[N+](=O)[O-]

InChIKey

ZVDFTBJXUXQPAU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-bromo-5-fluoro-2-methyl-3-nitro-
2-Bromo-4-fluoro-6-nitrotoluene

Work with 1-Bromo-5-fluoro-2-methyl-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

2-Bromo-4-fluoro-6-nitroaniline10472-88-562 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-761 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-358 % similar 2-Bromo-6-nitrotoluene55289-35-558 % similar 5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-657 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-856 % similar 3-Bromo-4-methyl-5-nitropyridine69872-15-755 % similar 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 3-Fluoro-4-nitrobenzyl bromide131858-37-2 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 2-Amino-3-bromo-5-fluorobenzoic acid259269-84-6 4-Bromo-2-fluoro-6-nitrotoluene502496-34-6

Elsewhere

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