Home Other Building Blocks Methyl 4-fluoro-3-(trifluoromethyl)benzoate

Methyl 4-fluoro-3-(trifluoromethyl)benzoate

CAS No.:
176694-36-3
Catalog Number:
AG0024UA
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%forsynthesis
In Stock USA
United States
$40
- +
5g
98%
In Stock USA
United States
$44
- +
10g
98%
In Stock USA
United States
$82
- +
25g
98%
In Stock USA
United States
$163
- +
100g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0024UA
Chemical Name:
Methyl 4-fluoro-3-(trifluoromethyl)benzoate
CAS Number:
176694-36-3
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD06203709
IUPAC Name:
methyl 4-fluoro-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6F4O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChI Key:
IRYBOHVMFKZODT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties