Home Other Building Blocks 2-Methyl-4,4,4-trifluorobutyric acid

2-Methyl-4,4,4-trifluorobutyric acid

CAS No.:
99783-23-0
Catalog Number:
AG003HN2
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$257
- +
5g
95%
In Stock USA
United States
$886
- +
10g
95%
In Stock USA
United States
$1535
- +
Product Description
Catalog Number:
AG003HN2
Chemical Name:
2-Methyl-4,4,4-trifluorobutyric acid
CAS Number:
99783-23-0
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
MDL Number:
MFCD00190640
IUPAC Name:
4,4,4-trifluoro-2-methylbutanoic acid
InChI:
InChI=1S/C5H7F3O2/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChI Key:
OBUKEMPWKGDRJV-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CC(F)(F)F
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.104g/mol
Monoisotopic Mass:
156.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties