Home Carboxys 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

CAS No.:
1260780-99-1
Catalog Number:
AG01AG5L
Molecular Formula:
C11H8F4O2
Molecular Weight:
248.1736
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Product Description
Catalog Number:
AG01AG5L
Chemical Name:
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CAS Number:
1260780-99-1
Molecular Formula:
C11H8F4O2
Molecular Weight:
248.1736
MDL Number:
MFCD11036981
IUPAC Name:
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H8F4O2/c12-8-4-6(10(1-2-10)9(16)17)3-7(5-8)11(13,14)15/h3-5H,1-2H2,(H,16,17)
InChI Key:
UHHHXFUMRLHTJJ-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C1(CC1)C(=O)O)C(F)(F)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.177g/mol
Monoisotopic Mass:
248.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties