4-Fluoro-3-nitrobenzaldehyde

C₇H₄FNO₃CAS 42564-51-2169.11 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitro

Properties

Molecular formula: C₇H₄FNO₃
Molar mass: 169.11 g/mol
Exact mass: 169.0175 Da
logP: 1.55Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
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

42564-51-2

SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

InChIKey

ILKWFRCNNILIJW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H

Weigh it out

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

Work with 4-Fluoro-3-nitrobenzaldehyde

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-3-nitrobenzaldehyde163596-75-662 % similar 4-Chloro-3-nitrobenzaldehyde16588-34-462 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-562 % similar 4-Methyl-3-nitrobenzaldehyde31680-07-662 % similar 2,5-Difluoronitrobenzene364-74-962 % similar 1-Fluoro-2,4-dinitrobenzene70-34-860 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-259 % similar 3-Methyl-4-nitrobenzaldehyde18515-67-858 % similar

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

Same formula

2-Fluoro-4-nitrobenzaldehyde157701-72-9 3-Fluoro-4-nitrobenzaldehyde160538-51-2 2-Fluoro-5-nitrobenzaldehyde27996-87-8 4-Fluoro-2-nitrobenzaldehyde2923-96-8 5-Fluoro-2-nitrobenzaldehyde395-81-3

Elsewhere

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