chempirical

4-Nitrobenzyl fluoride

C7H6FNO2CAS 500-11-8155.13 g/mol

Open in Covalent MOL file
FN+OO−
Alkyl halideNitro

Properties

Molecular formula
C7H6FNO2
Molar mass
155.13 g/mol
Exact mass
155.0383 Da
logP
2.06Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
500-11-8
SMILES
C1=CC(=CC=C1CF)[N+](=O)[O-]
InChIKey
CJFHTFLZNPFBKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

Weigh it out

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Names and synonyms

3 names
  • 1-(Fluoromethyl)-4-nitrobenzene
  • p-Fluoromethylnitrobenzene
  • 1-(Fluoro-methyl)-4-nitro-benzene

Work with 4-Nitrobenzyl fluoride

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-Bis(4-nitrophenyl)ethane736-30-169 % similar 1,4-Dinitrobenzene100-25-463 % similar 4-Nitrobenzyl bromide100-11-860 % similar 1-Ethyl-4-nitrobenzene100-12-960 % similar 4-Nitrobenzyl chloride100-14-160 % similar 4-Nitrobenzyl alcohol619-73-860 % similar 2-(4-Nitrophenyl)ethanol100-27-658 % similar 4-Nitrophenethyl bromide5339-26-458 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

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