1,6-dibromopyrene

• ChemBase ID: 293995
• Molecular Formular: C16H8Br2
• Molecular Mass: 360.04272
• Monoisotopic Mass: 357.89927426
• SMILES: Brc1ccc2ccc3c(Br)ccc4ccc1c2c34
• Canonical SMILES: Brc1ccc2c3c1ccc1c3c(cc2)c(cc1)Br
• InChI: InChI=1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
• InChIKey: JRCJYPMNBNNCFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dibromopyrene
• IUPAC Traditional name: 1,6-dibromopyrene
• Synonyms: 1,6-Dibromopyrene

Database IDs

• CAS Number: 27973-29-1
• MDL Number: MFCD09263746
• PubChem SID: 180679526
• PubChem CID: 176470

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8214326
• LogD (pH = 7.4): 5.8214326
• Log P: 5.8214326
• Molar Refractivity: 81.9682 cm^3
• Polarizability: 34.699924 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%