4-Fluoro-3-nitrobenzyl bromide

C₇H₅BrFNO₂CAS 15017-52-4234.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 2.63Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

15017-52-4

SMILES

C1=CC(=C(C=C1CBr)[N+](=O)[O-])F

InChIKey

OAMKMERAYXDUEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2

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Work with 4-Fluoro-3-nitrobenzyl bromide

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

2,5-Difluoronitrobenzene364-74-960 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-655 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-055 % similar 4-Fluoro-3-nitroaniline364-76-155 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar 3,4-Difluorobenzyl bromide85118-01-053 % similar 4-Nitrobenzyl bromide100-11-853 % 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 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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