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Home Halogens 2-Adamantyl-4-bromoanisole

2-Adamantyl-4-bromoanisole

CAS No.:
104224-63-7
Catalog Number:
AG00HAB8
Molecular Formula:
C17H21BrO
Molecular Weight:
321.2520
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(HPLC)
In Stock USA
United States
$43
- +
1g
97%
In Stock USA
United States
$44
- +
5g
97%
In Stock USA
United States
$138
- +
10g
97%
In Stock USA
United States
$250
- +
25g
97%
In Stock USA
United States
$519
- +
Product Description
Catalog Number:
AG00HAB8
Chemical Name:
2-Adamantyl-4-bromoanisole
CAS Number:
104224-63-7
Molecular Formula:
C17H21BrO
Molecular Weight:
321.2520
MDL Number:
MFCD03855308
IUPAC Name:
1-(5-bromo-2-methoxyphenyl)adamantane
InChI:
InChI=1S/C17H21BrO/c1-19-16-3-2-14(18)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3
InChI Key:
QQAMHHZQONQBFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.258g/mol
Monoisotopic Mass:
320.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
2-(1-Adamant-yl)-4-bromo-anisole at 123 K. Acta crystallographica. Section E, Structure reports online 20080701
Properties