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  2. 1908-61-8
4-Bromo[2.2]paracyclophane | 1908-61-8

Product name:4-Bromo[2.2]paracyclophane

CAS No:1908-61-8
MF:C16H15Br
MW:287.1943
MDL:MFCD00187358
CID:118203
Names and Identifiers
  • Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene,5-bromo-
  • 4-Bromo[2.2]paracyclophane
  • (+/-)-4-bromo[2.2]paracyclophane
  • 2-bromo[2.2]paracyclophane
  • 2-bromo-paracyclophane
  • 5-bromotricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4,6,10,13,15-hexaene
  • rac-4-bromo[2.2]paracyclophane
  • Racemic-4-bromo[2,2]paracyclophane
  • 5-Bromo[2.2]paracyclophane
  • racemic-4-Bromo[2.2]paracyclophane
  • 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N
  • BrC1=C2CCC3=CC=C(C=C3)CCC(C=C2)=C1
  • doi:10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N
  • 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N.5
  • 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N.4
  • 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N.1
  • 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N.3
  • doi
  • MDL:MFCD00187358
  • InChIKey:RJOYWTPJYZNRJD-UHFFFAOYSA-N
  • Inchi:1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
  • SMILES:BrC1C([H])=C2C([H])=C([H])C=1C([H])([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C2([H])[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 287.19g/mol
  • Surface Charge: 0
  • XLogP3: 5.1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 286.03571g/mol
  • Monoisotopic Mass: 286.03571g/mol
  • Topological Polar Surface Area: 0Ų
  • Heavy Atom Count: 17
  • Complexity: 242
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Tautomer Count: nothing
  • Surface Charge: 0

Experimental Properties

  • LogP: 4.33290
  • PSA: 0.00000
  • Color/Form: Not available
  • Solubility: Not available
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