2-Fluoro-5-nitrobenzaldehyde

C₇H₄FNO₃CAS 27996-87-8169.11 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
Melting point: 58–59 °C
logP: 1.55Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

27996-87-8

SMILES

O=Cc1cc([N+](=O)[O-])ccc1F

InChIKey

VVXFDFQEIRGULC-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzaldehyde, 2-fluoro-5-nitro-

Work with 2-Fluoro-5-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

3,4-Difluoronitrobenzene369-34-669 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-362 % similar 5-Nitrosalicylaldehyde97-51-862 % similar 2,4-Dinitrobenzaldehyde528-75-661 % similar 1-Fluoro-2,4-dinitrobenzene70-34-860 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-459 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-257 % similar 3-Chloro-4-fluoronitrobenzene350-30-157 % similar

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

Same formula

4-Fluoro-2-nitrobenzaldehyde2923-96-8 5-Fluoro-2-nitrobenzaldehyde395-81-3

Elsewhere

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