Home Other Building Blocks Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-

Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-

CAS No.:
209991-64-0
Catalog Number:
AG002KI4
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
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Product Description
Catalog Number:
AG002KI4
Chemical Name:
Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-
CAS Number:
209991-64-0
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD00061186
IUPAC Name:
2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6F4O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)
InChI Key:
LUIOBGWYVHPKRC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
239  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties