| CAS Number | 128272-29-7 |
| Catalog Number | AG019EPZ(AGN-PC-001RXY) |
| Chemical Name | 3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol |
| IUPAC Name | 3-(1-adamantyl)-6-bromonaphthalen-2-ol |
| InChI | InChI=1S/C20H21BrO/c21-17-2-1-15-8-19(22)18(7-16(15)6-17)20-9-12-3-13(10-20)5-14(4-12)11-20/h1-2,6-8,12-14,22H,3-5,9-11H2 |
| InChI Key | BLOOFHRWAOQRNT-UHFFFAOYSA-N |
| MDL Number | MFCD13182367 |
| Molecular Formula | C20H21BrO |
| Molecular Weight | 357.2841 |
| SMILES | OC1=C(C2(C3)CC4CC3CC(C4)C2)C=C5C=C(Br)C=CC5=C1 |
| Synonyms | 3-(Adamantan-1-yl)-6-bromonaphthalen-2-ol,
128272-29-7,
SCHEMBL7687459,
BLOOFHRWAOQRNT-UHFFFAOYSA-N,
MFCD13182367,
3-(1-adamantyl)-6-bromo-2-naphthol,
KS-00000M59,
AK482961,
DS-18932,
CS-0060297,
7-(1-adamantyl)-6-hydroxy-2-bromonaphthalene,
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| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.291g/mol |
| Monoisotopic Mass | 356.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number