3-(Bromomethyl)-5-chloro benzo[b]thiophene

• Catalog Number: ACM1198512
• Product Name: 3-(Bromomethyl)-5-chloro benzo[b]thiophene
• CAS: 1198-51-2
• Category: Thiophenes
• Synonyms: 3-(Bromomethyl)-5-chloro-1-benzothiophene; Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-
• IUPAC Name: 3-(bromomethyl)-5-chloro-1-benzothiophene
• Molecular Weight: 261.57g/mol
• Molecular Formula: C9H6BrClS
• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CBr
• InChI: InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
• InChI Key: FKQSFVITUNJLCY-UHFFFAOYSA-N
• Boiling Point: 345.5 °C/760mmHg
• Melting Point: 129-130 °C(lit.)
• Flash Point: 162.8°C
• Density: 1.693 g/cm³ at 25 °C(lit.)
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Exact Mass: 259.90621g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 259.90621g/mol
• Rotatable Bond Count: 1
• XLogP3: 4.1