1-(2-Fluoro-5-nitrophenyl)ethan-1-one

C8H6FNO3CAS 79110-05-7183.14 g/mol

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Aryl halideKetoneNitro

Properties

Molecular formula
C8H6FNO3
Molar mass
183.14 g/mol
Exact mass
183.0332 Da
logP
1.94Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
79110-05-7
SMILES
CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
InChIKey
BCXOSCQTHVTUET-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3

Weigh it out

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Work with 1-(2-Fluoro-5-nitrophenyl)ethan-1-one

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

1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-665 % similar 2′-Chloro-5′-nitroacetophenone23082-50-065 % similar 2-Fluoro-5-nitrobenzoic acid7304-32-765 % similar Methyl 2-fluoro-5-nitrobenzoate2965-22-264 % similar 2'-Chloro-4'-nitroacetophenone67818-41-161 % similar 3,4-Difluoronitrobenzene369-34-658 % similar 3′-Nitroacetophenone121-89-157 % similar 2-Fluoro-5-nitrotoluene455-88-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-Fluoro-3'-nitroacetophenone400-93-1

Elsewhere

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