Home Carboxys 4,4-difluoroadamantane-1-carboxylic acid

4,4-difluoroadamantane-1-carboxylic acid

CAS No.:
438017-43-7
Catalog Number:
AG00DIIA
Molecular Formula:
C11H14F2O2
Molecular Weight:
216.2245
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Product Description
Catalog Number:
AG00DIIA
Chemical Name:
4,4-difluoroadamantane-1-carboxylic acid
CAS Number:
438017-43-7
Molecular Formula:
C11H14F2O2
Molecular Weight:
216.2245
MDL Number:
MFCD02712630
IUPAC Name:
4,4-difluoroadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H14F2O2/c12-11(13)7-1-6-2-8(11)5-10(3-6,4-7)9(14)15/h6-8H,1-5H2,(H,14,15)
InChI Key:
STPITGHNDOOTFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C2)C(C(C1)C3)(F)F
Properties
Complexity:
309  
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:
2.1  
Properties