2-Fluoro-6-nitro-N-phenylbenzamide

C₁₃H₉FN₂O₃CAS 870281-83-7260.22 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro

Properties

Molecular formula: C₁₃H₉FN₂O₃
Molar mass: 260.22 g/mol
Exact mass: 260.0597 Da
logP: 2.99Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from the 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

870281-83-7

SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)[N+](=O)[O-]

InChIKey

GQVRPSFDUVNMDA-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FN2O3/c14-10-7-4-8-11(16(18)19)12(10)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)

Weigh it out

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Work with 2-Fluoro-6-nitro-N-phenylbenzamide

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-Fluoro-6-nitrobenzoic acid385-02-458 % similar 1-Fluoro-2-nitrobenzene1493-27-253 % similar 2-Fluoro-6-nitrophenol1526-17-650 % similar 1,2-Difluoro-3-nitrobenzene6921-22-850 % similar 4′-Nitrobenzanilide3393-96-249 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-948 % similar 2-Fluoro-6-nitrobenzenamine17809-36-847 % similar 2-Bromo-1-fluoro-3-nitrobenzene59255-94-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-2'-fluoro-5-nitrobenzophenone344-80-9

Elsewhere

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