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Home Halogens 1-Adamantyl bromomethyl ketone

1-Adamantyl bromomethyl ketone

CAS No.:
5122-82-7
Catalog Number:
AG003DX1
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$400
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG003DX1
Chemical Name:
1-Adamantyl bromomethyl ketone
CAS Number:
5122-82-7
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD00074740
IUPAC Name:
1-(1-adamantyl)-2-bromoethanone
InChI:
InChI=1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChI Key:
KWCDIRFSULAMOC-UHFFFAOYSA-N
SMILES:
BrCC(=O)C12CC3CC(C2)CC(C1)C3
EC Number:
225-860-6
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Adamantyl ethanone pyridyl derivatives: potent and selective inhibitors of human 11β-hydroxysteroid dehydrogenase type 1. ChemMedChem 20110905
Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. ChemMedChem 20110801
Properties