9-(bromomethyl)anthracene

• ChemBase ID: 88527
• Molecular Formular: C15H11Br
• Molecular Mass: 271.15184
• Monoisotopic Mass: 270.00441235
• SMILES: BrCc1c2c(cc3ccccc13)cccc2
• Canonical SMILES: BrCc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
• InChIKey: KOWKPLCVFRHICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(bromomethyl)anthracene
• IUPAC Traditional name: 9-(bromomethyl)anthracene
• Synonyms: 9-(Bromomethyl)anthracene

Database IDs

• CAS Number: 2417-77-8
• MDL Number: MFCD00096212
• PubChem SID: 162075468
• PubChem CID: 17019

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7249365
• LogD (pH = 7.4): 4.7249365
• Log P: 4.7249365
• Molar Refractivity: 71.8088 cm^3
• Polarizability: 29.735228 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 95+%