Home Carboxys 1-[3-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid

1-[3-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid

CAS No.:
1260765-37-4
Catalog Number:
AG01B2I1
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
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Product Description
Catalog Number:
AG01B2I1
Chemical Name:
1-[3-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
CAS Number:
1260765-37-4
Molecular Formula:
C12H11F3O3
Molecular Weight:
260.2091
MDL Number:
MFCD11037055
IUPAC Name:
1-[3-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H11F3O3/c13-12(14,15)18-9-4-1-3-8(7-9)11(10(16)17)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,16,17)
InChI Key:
AFBAYZJKVGWVEL-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.212g/mol
Monoisotopic Mass:
260.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties