4-Fluoro-2-nitrobenzaldehyde

C₇H₄FNO₃CAS 2923-96-8169.11 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: 32–33 °C
logP: 1.55Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

2923-96-8

SMILES

O=Cc1ccc(F)cc1[N+](=O)[O-]

InChIKey

ORCGMGUNVGVHDN-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Benzaldehyde, 4-fluoro-2-nitro-
NSC 96890
2-Nitro-4-fluorobenzaldehyde

Work with 4-Fluoro-2-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

2,4-Dinitrobenzaldehyde528-75-668 % similar 4-Chloro-2-nitrobenzaldehyde5551-11-164 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-763 % similar 4-Fluoro-1,2-dinitrobenzene364-53-463 % similar 4-Fluoro-2-nitrophenol394-33-260 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-059 % similar 2,5-Difluoronitrobenzene364-74-959 % similar 2-Nitrobenzaldehyde552-89-659 % similar

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

Same formula

2-Fluoro-5-nitrobenzaldehyde27996-87-8 5-Fluoro-2-nitrobenzaldehyde395-81-3

Elsewhere

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