4-Bromo-2-fluoro-6-nitrotoluene

C₇H₅BrFNO₂CAS 502496-34-6234.02 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

502496-34-6

SMILES

CC1=C(C=C(C=C1F)Br)[N+](=O)[O-]

InChIKey

QZUIGBPWEFMEEV-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 4-Bromo-2-fluoro-6-nitrotoluene

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

4-Bromo-2-fluoro-6-nitrophenol320-76-363 % similar 4-Bromo-2-fluoro-6-nitroanisole74266-66-363 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-260 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-359 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-859 % similar 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-456 % similar 5-Bromo-2-methyl-3-nitrobenzoic acid107650-20-456 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-855 % 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 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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