4'-Fluoro-2'-nitroacetanilide

C₈H₇FN₂O₃CAS 448-39-5198.15 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro

Properties

Molecular formula: C₈H₇FN₂O₃
Molar mass: 198.15 g/mol
Exact mass: 198.0441 Da
logP: 1.69Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

448-39-5

SMILES

CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

InChIKey

UZBZEUCQENVPQB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)

Weigh it out

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

Work with 4'-Fluoro-2'-nitroacetanilide

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

N1-(4,5-Dichloro-2-nitrophenyl)acetamide5462-30-660 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-655 % similar 4'-Nitro-2'-(trifluoromethyl)acetanilide395-68-654 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-354 % similar 4-Fluoro-1,2-dinitrobenzene364-53-453 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-251 % similar 4-Nitro-3-trifluoromethylacetanilide393-12-451 % similar 2,5-Difluoronitrobenzene364-74-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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