| CAS Number | 736992-49-7 |
| Catalog Number | AG003GBS(AGN-PC-045HS4) |
| Chemical Name | 2-Adamantyl-1-benzyloxy-4-bromobenzene |
| IUPAC Name | 2-(5-bromo-2-phenylmethoxyphenyl)adamantane |
| InChI | InChI=1S/C23H25BrO/c24-20-6-7-22(25-14-15-4-2-1-3-5-15)21(13-20)23-18-9-16-8-17(11-18)12-19(23)10-16/h1-7,13,16-19,23H,8-12,14H2 |
| InChI Key | USYFIKGHAJXZFA-UHFFFAOYSA-N |
| MDL Number | MFCD09258646 |
| Molecular Formula | C23H25BrO |
| Molecular Weight | 397.3480 |
| SMILES | Brc1ccc(c(c1)C1C2CC3CC1CC(C2)C3)OCc1ccccc1 |
| Synonyms | 2-ADAMANTYL-1-BENZYLOXY-4-BROMOBENZENE,
736992-49-7,
ACMC-209ory,
CTK5D8517,
ANW-36380,
ZINC71791754,
AKOS015840939,
RTR-023900,
I01-11453,
Tricyclo[3.3.1.13,7]decane,1-[5-bromo-2-(phenylmethoxy)phenyl]-,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.356g/mol |
| Monoisotopic Mass | 396.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number