2-fluoro-4-phenylbenzaldehyde

• ChemBase ID: 248428
• Molecular Formular: C13H9FO
• Molecular Mass: 200.2083632
• Monoisotopic Mass: 200.06374313
• SMILES: c1(c(ccc(c1)c1ccccc1)C=O)F
• Canonical SMILES: O=Cc1ccc(cc1F)c1ccccc1
• InChI: InChI=1S/C13H9FO/c14-13-8-11(6-7-12(13)9-15)10-4-2-1-3-5-10/h1-9H
• InChIKey: LMELGNCEEYDIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-phenylbenzaldehyde
• IUPAC Traditional name: 2-fluoro-4-phenylbenzaldehyde
• Synonyms: 2-fluoro-4-phenylbenzaldehyde

Database IDs

• MDL Number: MFCD02261762
• PubChem SID: 164304338
• PubChem CID: 16768527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4756753
• LogD (pH = 7.4): 3.4756753
• Log P: 3.4756753
• Molar Refractivity: 57.9946 cm^3
• Polarizability: 22.834427 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.649

Product Information

• Purity: 95%