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


Chemical Name: 3,5,7-trifluoroadamantane-1-carboxylic acid
CAS Number: 214557-89-8
Product Number: AG0035Y9(AGN-PC-0NHKPE)
Synonyms:
MDL No:
Molecular Formula: C11H13F3O2
Molecular Weight: 234.2149

Identification/Properties


Properties
BP:
304.3±42.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
234.218g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
234.087g/mol
Monoisotopic Mass:
234.087g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
322
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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