1-Bromo-4-ethylbenzene

• CAS: 1585-07-5
• Catalog Number: ACM1585075
• Category: Bromine Series
• Molecular Weight: 185.06g/mol
• Molecular Formula: C8H9Br
• IUPAC Name: 1-bromo-4-ethylbenzene
• Canonical SMILES: CCC1=CC=C(C=C1)Br
• InChI: InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
• InChI Key: URFPRAHGGBYNPW-UHFFFAOYSA-N
• Boiling Point: 204.0 °C
• Melting Point: -43.5 °C
• Complexity: 72.6
• Covalently-Bonded Unit Count: 1
• EC Number: 216-439-8
• Exact Mass: 183.98876g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 183.98876g/mol
• NSC Number: 60144
• Rotatable Bond Count: 1
• UNII: 42LI8TAT6J
• Vapor Pressure: 0.70 mmHg
• XLogP3: 3.6