4-Bromo-5-fluoro-2-nitrotoluene

C₇H₅BrFNO₂CAS 224185-19-7234.02 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

Identifiers

CAS number

224185-19-7

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])Br)F

InChIKey

MTTNTJRJOFVWSY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-5-fluoro-2-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

1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-073 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-471 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-663 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-657 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-056 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-555 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-655 % similar 4-Methyl-3-nitroaniline119-32-451 % 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 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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