chempirical

2-Fluoro-4-nitrobenzaldehyde

C7H4FNO3CAS 157701-72-9169.11 g/mol

Open in Covalent MOL file
N+OO−FO
AldehydeAryl halideNitro

Properties

Molecular formula
C7H4FNO3
Molar mass
169.11 g/mol
Exact mass
169.0175 Da
logP
1.55Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
157701-72-9
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)C=O
InChIKey
ZFCMKFOFVGHQNE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H

Weigh it out

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

Work with 2-Fluoro-4-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-Hydroxy-4-nitrobenzaldehyde2460-58-464 % similar 3,4-Difluoronitrobenzene369-34-664 % similar 5-Nitrosalicylaldehyde97-51-862 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-358 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-257 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-257 % similar 2-Fluoro-4-nitrobenzenamine369-35-757 % similar 1-Fluoro-2,4-dinitrobenzene70-34-856 % similar

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

Same formula

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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