2-Bromodibenzothiophene

• Catalog Number: ACM22439618-2
• Product Name: 2-Bromodibenzothiophene
• CAS: 22439-61-8
• Category: Heterocyclic Organic Compound
• Synonyms: 2-BROMODIBENZOTHIOPHENE
• IUPAC Name: 2-bromodibenzothiophene
• Molecular Weight: 263.15
• Molecular Formula: C12H7BrS
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
• InChI: InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
• InChI Key: IJICRIUYZZESMW-UHFFFAOYSA-N
• Boiling Point: 250 - 252 °C
• Melting Point: 387℃
• Density: 1.611 g/ml
• Complexity: 218
• Covalently-Bonded Unit Count: 1
• Exact Mass: 261.94518g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 261.94518g/mol
• NSC Number: 172586
• Rotatable Bond Count: 0
• XLogP3: 5.1