Home Other Building Blocks 2-[3-(2,2,2-trifluoroethyl)phenyl]acetic acid

2-[3-(2,2,2-trifluoroethyl)phenyl]acetic acid

CAS No.:
1369119-16-3
Catalog Number:
AG01C49B
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01C49B
Chemical Name:
2-[3-(2,2,2-trifluoroethyl)phenyl]acetic acid
CAS Number:
1369119-16-3
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD22036978
IUPAC Name:
2-[3-(2,2,2-trifluoroethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9F3O2/c11-10(12,13)6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)
InChI Key:
JFXAFPPOYSDSCR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)CC(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties