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

Methyl 4-methyl-3-(trifluoromethyl)benzoate

CAS No.:
116419-94-4
Catalog Number:
AG000CGU
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$88
- +
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG000CGU
Chemical Name:
Methyl 4-methyl-3-(trifluoromethyl)benzoate
CAS Number:
116419-94-4
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD14698074
IUPAC Name:
methyl 4-methyl-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O2/c1-6-3-4-7(9(14)15-2)5-8(6)10(11,12)13/h3-5H,1-2H3
InChI Key:
LXUTXZRWQVCTTR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties