Home Carboxys 1-(2,4-difluorophenyl)cyclopentane-1-carboxylic acid

1-(2,4-difluorophenyl)cyclopentane-1-carboxylic acid

CAS No.:
1260784-54-0
Catalog Number:
AG01A380
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
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Product Description
Catalog Number:
AG01A380
Chemical Name:
1-(2,4-difluorophenyl)cyclopentane-1-carboxylic acid
CAS Number:
1260784-54-0
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
MDL Number:
MFCD11037087
IUPAC Name:
1-(2,4-difluorophenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H12F2O2/c13-8-3-4-9(10(14)7-8)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChI Key:
BEFDRJJXJDRECV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C1(CCCC1)C(=O)O
Properties
Complexity:
274  
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