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Home Carboxys 3,5,7-Trifluoroadamantane-1-carboxylic acid

3,5,7-Trifluoroadamantane-1-carboxylic acid

CAS No.:
214557-89-8
Catalog Number:
AG0035Y9
Molecular Formula:
C11H13F3O2
Molecular Weight:
234.2149
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$525
- +
10g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG0035Y9
Chemical Name:
3,5,7-Trifluoroadamantane-1-carboxylic acid
CAS Number:
214557-89-8
Molecular Formula:
C11H13F3O2
Molecular Weight:
234.2149
MDL Number:
MFCD17215150
IUPAC Name:
3,5,7-trifluoroadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H13F3O2/c12-9-1-8(7(15)16)2-10(13,4-9)6-11(14,3-8)5-9/h1-6H2,(H,15,16)
InChI Key:
QBRDOUHHJWRTHN-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.218g/mol
Monoisotopic Mass:
234.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties