Home Other Building Blocks 4,4,4-trifluoro-2-phenylbutanoic acid

4,4,4-trifluoro-2-phenylbutanoic acid

CAS No.:
1073477-18-5
Catalog Number:
AG01DX9Y
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DX9Y
Chemical Name:
4,4,4-trifluoro-2-phenylbutanoic acid
CAS Number:
1073477-18-5
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD21922772
IUPAC Name:
4,4,4-trifluoro-2-phenylbutanoic acid
InChI:
InChI=1S/C10H9F3O2/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)
InChI Key:
HEIQZQVZMGICPT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CC(F)(F)F
Properties
Complexity:
219  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties