benzyl

• ChemBase ID: 797641
• Molecular Formular: C7H7
• Molecular Mass: 91.13048
• Monoisotopic Mass: 91.05477522
• SMILES: [CH2]c1ccccc1
• Canonical SMILES: [CH2]c1ccccc1
• InChI: InChI=1S/C7H7/c1-7-5-3-2-4-6-7/h2-6H,1H2
• InChIKey: SLRMQYXOBQWXCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl
• IUPAC Traditional name: phenylmethyl
• Synonyms: Benzyl

Database IDs

• CAS Number: 216502-94-2

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5341
• LogD (pH = 7.4): 2.5341
• Log P: 2.5341
• Molar Refractivity: 31.069 cm^3
• Polarizability: 12.218821 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%