Home Carboxys 3,5-difluoroadamantane-1-carboxylic acid

3,5-difluoroadamantane-1-carboxylic acid

CAS No.:
73600-37-0
Catalog Number:
AG01EKAG
Molecular Formula:
C11H14F2O2
Molecular Weight:
216.2245
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Product Description
Catalog Number:
AG01EKAG
Chemical Name:
3,5-difluoroadamantane-1-carboxylic acid
CAS Number:
73600-37-0
Molecular Formula:
C11H14F2O2
Molecular Weight:
216.2245
MDL Number:
MFCD24480916
IUPAC Name:
3,5-difluoroadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H14F2O2/c12-10-2-7-1-9(4-10,8(14)15)5-11(13,3-7)6-10/h7H,1-6H2,(H,14,15)
InChI Key:
XDAFDDXJQRAKEG-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C2)(CC(C1)(C3)F)F
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.096g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.228g/mol
Monoisotopic Mass:
216.096g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties