Cas no 166960-00-5 (1-Bromo-4-(3-methoxy-propyl)-benzene)

1-Bromo-4-(3-methoxy-propyl)-benzene structure
166960-00-5 structure
Product Name:1-Bromo-4-(3-methoxy-propyl)-benzene
CAS No:166960-00-5
MF:C10H13BrO
MW:229.113622426987
CID:2103908
Update Time:2023-08-03

1-Bromo-4-(3-methoxy-propyl)-benzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-4-(3-methoxypropyl)Benzene
    • 1-Bromo-4-(3-methoxy-propyl)-benzene
    • GBJQVGFSICZULQ-UHFFFAOYSA-N
    • Benzene,1-bromo-4-(3-methoxypropyl)-
    • Inchi: 1S/C10H13BrO/c1-12-8-2-3-9-4-6-10(11)7-5-9/h4-7H,2-3,8H2,1H3
    • InChI Key: GBJQVGFSICZULQ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)CCCOC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 108
  • XLogP3: 3.4
  • Topological Polar Surface Area: 9.2
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