3-fluoro-4-nitrobenzoyl chloride

• ChemBase ID: 97357
• Molecular Formular: C7H3ClFNO3
• Molecular Mass: 203.5550232
• Monoisotopic Mass: 202.97854886
• SMILES: [N+](=O)(c1c(cc(cc1)C(=O)Cl)F)[O-]
• Canonical SMILES: ClC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
• InChI: InChI=1S/C7H3ClFNO3/c8-7(11)4-1-2-6(10(12)13)5(9)3-4/h1-3H
• InChIKey: DPAMLESDGWVDBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-nitrobenzoyl chloride
• IUPAC Traditional name: 3-fluoro-4-nitrobenzoyl chloride
• Synonyms: 3-Fluoro-4-nitrobenzoyl chloride

Database IDs

• MDL Number: MFCD03094235
• PubChem SID: 162083967
• PubChem CID: 2774656

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2468445
• LogD (pH = 7.4): 2.2468445
• Log P: 2.2468445
• Molar Refractivity: 44.7138 cm^3
• Polarizability: 15.932239 Å^3
• Polar Surface Area: 62.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 23-25°C

Safety Information

• Storage Warning: Corrosive