chempirical

3-Fluoro-4-nitrobenzyl bromide

C7H5BrFNO2CAS 131858-37-2234.02 g/mol

Open in Covalent MOL file
BrFN+OO−
Alkyl halideAryl halideNitro

Properties

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

Identifiers

CAS number
131858-37-2
SMILES
C1=CC(=C(C=C1CBr)F)[N+](=O)[O-]
InChIKey
ZOZJSWIXPIVMRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,4H2

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Work with 3-Fluoro-4-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

4-Bromo-2-fluoro-1-nitrobenzene321-23-359 % similar 2,4-Difluoronitrobenzene446-35-558 % similar 3-Fluoro-4-nitrobenzenamine2369-13-355 % similar 3-Fluoro-4-nitrophenol394-41-255 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-455 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-855 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar 3,4-Difluorobenzyl bromide85118-01-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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