2-bromoanthracene

• ChemBase ID: 70843
• Molecular Formular: C14H9Br
• Molecular Mass: 257.12526
• Monoisotopic Mass: 255.98876229
• SMILES: c1c(ccc2cc3ccccc3cc12)Br
• Canonical SMILES: Brc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C14H9Br/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
• InChIKey: PYXBCVWIECUMDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoanthracene
• IUPAC Traditional name: 2-bromoanthracene
• Synonyms: 2-Bromoanthracene; 2-Bromo-anthracene

Database IDs

• CAS Number: 7321-27-9
• MDL Number: MFCD07784002
• PubChem SID: 162036552
• PubChem CID: 12346099

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: 27.992828 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%