Home Other Building Blocks Methyl 4-(trifluoromethoxy)benzoate

Methyl 4-(trifluoromethoxy)benzoate

CAS No.:
780-31-4
Catalog Number:
AG0036HJ
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0036HJ
Chemical Name:
Methyl 4-(trifluoromethoxy)benzoate
CAS Number:
780-31-4
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD00041006
IUPAC Name:
methyl 4-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3
InChI Key:
JFFLBWZTJAWGNP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OC(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:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties