p-Octylbromobenzene

• Catalog Number: ACM51554939
• Product Name: p-Octylbromobenzene
• CAS: 51554-93-9
• Category: Bromine Series
• IUPAC Name: 1-bromo-4-octylbenzene
• Molecular Weight: 269.22g/mol
• Molecular Formula: C14H21Br
• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)Br
• InChI: InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3
• InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N
• Complexity: 136
• Covalently-Bonded Unit Count: 1
• Exact Mass: 268.08266g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 268.08266g/mol
• Rotatable Bond Count: 7
• XLogP3: 6.4