2-Fluoro-5-nitrobenzaldehyde

C7H4FNO3CAS 27996-87-8169.11 g/mol

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AldehydeAryl halideNitro

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
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-Methyl-5-nitrobenzaldehyde16634-91-662 % 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

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 4-Fluoro-2-nitrobenzaldehyde2923-96-8 5-Fluoro-2-nitrobenzaldehyde395-81-3 4-Fluoro-3-nitrobenzaldehyde42564-51-2

Elsewhere

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