2-bromophenanthrene

• ChemBase ID: 90912
• Molecular Formular: C14H9Br
• Molecular Mass: 257.12526
• Monoisotopic Mass: 255.98876229
• SMILES: Brc1ccc2c(c1)ccc1ccccc21
• Canonical SMILES: Brc1ccc2c(c1)ccc1c2cccc1
• InChI: InChI=1S/C14H9Br/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
• InChIKey: SQTPFYJEKHTINP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromophenanthrene
• IUPAC Traditional name: 2-bromophenanthrene
• Synonyms: 2-Bromophenanthrene

Database IDs

• CAS Number: 62162-97-4
• PubChem SID: 162077621
• PubChem CID: 12491433

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.720952
• LogD (pH = 7.4): 4.720952
• Log P: 4.720952
• Molar Refractivity: 66.5812 cm^3
• Polarizability: 27.994253 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-96°C
• Boiling Point: 185°C/4mm

Safety Information

• Storage Warning: Irritant/Light Sensitive