AC1MBYZ7
5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
Also Known As: p-Bromocalix[4]arene propyl ether|5,11,17,23-TETRABROMO-25,26,27,28-TETRAPROPOXYCALIX[4!ARENE,|5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene|5,11,17,23-Tetrabromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
| Molecular Formula | C40H44Br4O4 |
|---|---|
| Molecular Weight | 903.9973 g/mol |
| LogP | 12.5684 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 903.9973 |
| Monoisotopic Mass | 907.9932 |
| Heavy Atoms | 48 |
| Complexity | 1388.8082 |
Chemical Identifiers
| CAS Number | 181640-72-2 |
|---|---|
| SMILES | CCCOC1=C2CC3=CC(=CC(=C3OCCC)CC4=C(C(=CC(=C4)Br)CC5=C(C(=CC(=C5)Br)CC1=CC(=C2)Br)OCCC)OCCC)Br |
Product Overview
AC1MBYZ7 (CAS 181640-72-2), with molecular formula C40H44Br4O4 and molecular weight 903.9973 g/mol. IUPAC: 5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.
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