1-nonyl-4-phenylbenzene

• ChemBase ID: 79584
• Molecular Formular: C21H28
• Molecular Mass: 280.44702
• Monoisotopic Mass: 280.2191009
• SMILES: CCCCCCCCCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCCCCCCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C21H28/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3
• InChIKey: XMYSGVNXYKACMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-nonyl-4-phenylbenzene
• IUPAC Traditional name: 1-nonyl-4-phenylbenzene
• Synonyms: 4-nonyl-1,1'-biphenyl; 4-n-Nonylbiphenyl; 4-正壬基联苯

Database IDs

• CAS Number: 93972-01-1
• MDL Number: MFCD00100666
• PubChem SID: 162044347
• PubChem CID: 112326

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.690442
• LogD (pH = 7.4): 7.690442
• Log P: 7.690442
• Molar Refractivity: 93.0434 cm^3
• Polarizability: 38.038723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%