Home Other Building Blocks 2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid

2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid

CAS No.:
142044-52-8
Catalog Number:
AG01B849
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
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Product Description
Catalog Number:
AG01B849
Chemical Name:
2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid
CAS Number:
142044-52-8
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD19442090
IUPAC Name:
2-fluoro-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6F4O2/c10-7(8(14)15)5-1-3-6(4-2-5)9(11,12)13/h1-4,7H,(H,14,15)
InChI Key:
SNSVFEGAHSFELK-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C(F)(F)F)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties