Home Carboxys 1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid

1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid

CAS No.:
610791-42-9
Catalog Number:
AG01BVIM
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
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Product Description
Catalog Number:
AG01BVIM
Chemical Name:
1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid
CAS Number:
610791-42-9
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
MDL Number:
MFCD11037091
IUPAC Name:
1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(11(15)16)3-1-2-4-12/h5-7H,1-4H2,(H,15,16)
InChI Key:
LYNZEVPXFDEQTD-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)c1cc(F)cc(c1)F
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.081g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.223g/mol
Monoisotopic Mass:
226.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties