sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Isopropyl 4,4,4-trifluoroacetoacetate

Isopropyl 4,4,4-trifluoroacetoacetate

CAS No.:
175230-50-9
Catalog Number:
AG0020Q0
Molecular Formula:
C7H9F3O3
Molecular Weight:
198.1398
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$57
- +
25g
95%
In Stock USA
United States
$169
- +
Product Description
Catalog Number:
AG0020Q0
Chemical Name:
Isopropyl 4,4,4-trifluoroacetoacetate
CAS Number:
175230-50-9
Molecular Formula:
C7H9F3O3
Molecular Weight:
198.1398
MDL Number:
MFCD00040990
IUPAC Name:
propan-2-yl 4,4,4-trifluoro-3-oxobutanoate
InChI:
InChI=1S/C7H9F3O3/c1-4(2)13-6(12)3-5(11)7(8,9)10/h4H,3H2,1-2H3
InChI Key:
XLBGYZLICFMDDS-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC(=O)C(F)(F)F)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.141g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties