AC1L4IZ9
(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
Also Known As: 2-Bromo-1,2,3,4-tetrahydrotetraphen-1-yl {[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate|(2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate|2-bromo-1,2,3,4-tetrahydrotetraphen-1-yl {[(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate|Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 2-bromo-1,2,3,4-tetrahydrobenz(a)anthracen-1-yl ester, (1R-(alpha(1S*,2S*),2beta,5alpha))-
| Molecular Formula | C30H35BrO3 |
|---|---|
| Molecular Weight | 522.17694 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.17694 |
| Monoisotopic Mass | 522.17694 |
| Heavy Atoms | 34 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 91050-74-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)OC2C(CCC3=C2C4=CC5=CC=CC=C5C=C4C=C3)Br)C(C)C |
| InChIKey | ZYRKWUCNTZIHCE-LACOBDBSSA-N |
Product Overview
AC1L4IZ9 (CAS 91050-74-7), with molecular formula C30H35BrO3 and molecular weight 522.17694 g/mol. IUPAC: (2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl) 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate.