Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 2-Fluoro-4-nitrobenzamide
CAS No.: 350-32-3
Molecular formula: C7H5FN2O3
Molecular weight: 184.12 g/mol
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)N
Structural class:
Other identifiers:

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2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 200mg HPLC≥96% 1320 2-8℃ in stock -
Kehua Intelligence 250mg 95% 784 2-8℃ in stock -
Kehua Intelligence 1g 95% 1440 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure


4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-fluoro-4-nitrobenzamide


4.2 InChI

InChI=1S/C7H5FN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)


4.3 InChIKey

MPYXSYLXWAVLLK-UHFFFAOYSA-N


4.4 Canonical SMILES

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


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon