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Home Halogens 2-Adamantyl-4-bromophenol

2-Adamantyl-4-bromophenol

CAS No.:
104224-68-2
Catalog Number:
AG007I84
Molecular Formula:
C16H19BrO
Molecular Weight:
307.2255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$113
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$400
- +
100g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG007I84
Chemical Name:
2-Adamantyl-4-bromophenol
CAS Number:
104224-68-2
Molecular Formula:
C16H19BrO
Molecular Weight:
307.2255
MDL Number:
MFCD00169077
IUPAC Name:
2-(1-adamantyl)-4-bromophenol
InChI:
InChI=1S/C16H19BrO/c17-13-1-2-15(18)14(6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2
InChI Key:
NYJXKHIVLGWPCF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.062g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.231g/mol
Monoisotopic Mass:
306.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
Ion-exchange-resin-catalyzed adamantylation of phenol derivatives with adamantanols: Developing a clean process for synthesis of 2-(1-adamantyl)-4-bromophenol, a key intermediate of adapalene. Beilstein journal of organic chemistry 20120101
Properties