Home Carboxys 3-Bromoadamantane-1-carboxylic acid

3-Bromoadamantane-1-carboxylic acid

CAS No.:
21816-08-0
Catalog Number:
AG003J3W
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$73
- +
1g
95%
In Stock USA
United States
$100
- +
5g
98%(HPLC)
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG003J3W
Chemical Name:
3-Bromoadamantane-1-carboxylic acid
CAS Number:
21816-08-0
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
MDL Number:
MFCD00167820
IUPAC Name:
3-bromoadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChI Key:
DJUDQBVINJIMFO-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C1)CC(C2)(C3)Br
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.143g/mol
Monoisotopic Mass:
258.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties