Pacifenol
3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol
Also Known As: Pacifenol|dibromo-chloro-tetramethyl-[?]ol|NCI60_002358|3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol|(1R,3S,4S,6S,8R,11R)-3,8-Dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol|6H-2,5a-Methano-1-benzoxepin-5-ol, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-5,8,10,10-tetramethyl-, (2R,5R,5aR,7S,8S,9aS)-|3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo(6.3.1.01,6)dodec-9-en-11-ol|2,7-Dibromo-8-chloro-5,8,10,10-tetramethyl-2,5,7,8,9,9a-hexahydro-6H-2,5a-methano-1-benzoxepin-5-ol|6H-2, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-5,8,10,10-tetramethyl-, (2R,5R,5aR,7S,8S,9aS)-|6H-2, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-5,8,10,10-tetramethyl-, [2R-(2.alpha.,5.alpha.,5a.beta.,7.beta.,8.alpha.,9a.alpha.)]-|6H-2,5a-Methano-1-benzoxepin-5-ol, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-5,8,10,10-tetramethyl-|6H-2,5a-Methano-1-benzoxepin-5-ol, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-5,8,10,10-tetramethyl-, [2R-(2.alpha.,5.alpha.,5a.beta.,7.beta.,8.alpha.,9a.alpha.)]-
| Molecular Formula | C15H21Br2ClO2 |
|---|---|
| Molecular Weight | 425.9597 g/mol |
| LogP | 4.36 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 427.95764 |
| Heavy Atoms | 20 |
| Complexity | 488.3 |
Chemical Identifiers
| CAS Number | 33880-90-9 |
|---|---|
| SMILES | CC1(C23CC(C(CC2OC1(C=CC3(C)O)Br)(C)Cl)Br)C |
Product Overview
Pacifenol (CAS 33880-90-9), with molecular formula C15H21Br2ClO2 and molecular weight 425.9597 g/mol. IUPAC: 3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol.
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