Home Other Building Blocks Methyl 4-trifluoromethylbenzoylacetate

Methyl 4-trifluoromethylbenzoylacetate

CAS No.:
212755-76-5
Catalog Number:
AG00BD2X
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$175
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00BD2X
Chemical Name:
Methyl 4-trifluoromethylbenzoylacetate
CAS Number:
212755-76-5
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
MDL Number:
MFCD00216521
IUPAC Name:
methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C11H9F3O3/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)11(12,13)14/h2-5H,6H2,1H3
InChI Key:
NMJOILIYLOHXGP-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties