1-fluoro-4-nitronaphthalene

• ChemBase ID: 798149
• Molecular Formular: C10H6FNO2
• Molecular Mass: 191.1585432
• Monoisotopic Mass: 191.03825666
• SMILES: c1cc2c(cc1)c(ccc2F)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(c2c1cccc2)F
• InChI: InChI=1S/C10H6FNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H
• InChIKey: XVDSBUCGMJBTNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-nitronaphthalene
• IUPAC Traditional name: 1-fluoro-4-nitronaphthalene
• Synonyms: 1-fluoro-4-nitroNaphthalene

Database IDs

• CAS Number: 341-92-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0454087
• LogD (pH = 7.4): 3.0454087
• Log P: 3.0454087
• Molar Refractivity: 49.0451 cm^3
• Polarizability: 19.355682 Å^3
• Polar Surface Area: 43.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%