4-Fluoro-2-nitrobenzaldehyde

C7H4FNO3CAS 2923-96-8169.11 g/mol

Open in Covalent MOL file
OFN+OO−
AldehydeAryl halideNitro

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Bromo-2-nitrobenzaldehyde5551-12-264 % 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

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 5-Fluoro-2-nitrobenzaldehyde395-81-3 4-Fluoro-3-nitrobenzaldehyde42564-51-2

Elsewhere

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