2-fluoro-3-nitrophenol

• ChemBase ID: 67851
• Molecular Formular: C6H4FNO3
• Molecular Mass: 157.0992632
• Monoisotopic Mass: 157.01752121
• SMILES: c1(c(c(ccc1)[N+](=O)[O-])F)O
• Canonical SMILES: [O-][N+](=O)c1cccc(c1F)O
• InChI: InChI=1S/C6H4FNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
• InChIKey: QZOGSUCWBIPKDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-nitrophenol
• IUPAC Traditional name: 2-fluoro-3-nitrophenol
• Synonyms: 2-Fluoro-3-nitrophenol

Database IDs

• CAS Number: 179816-26-3
• MDL Number: MFCD11042443
• PubChem SID: 162033586
• PubChem CID: 23340673

CALCULATED PROPERTIES

• Acid pKa: 7.053047
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7404925
• LogD (pH = 7.4): 1.2530102
• Log P: 1.7523667
• Molar Refractivity: 34.5758 cm^3
• Polarizability: 12.689347 Å^3
• Polar Surface Area: 63.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%