Home Other Building Blocks Benzoic acid, 4-fluoro-2-(trifluoromethyl)-, ethyl ester

Benzoic acid, 4-fluoro-2-(trifluoromethyl)-, ethyl ester

CAS No.:
167758-89-6
Catalog Number:
AG001XKS
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$142
- +
5g
1 week
United States
$517
- +
25g
1 week
United States
$2114
- +
Product Description
Catalog Number:
AG001XKS
Chemical Name:
Benzoic acid, 4-fluoro-2-(trifluoromethyl)-, ethyl ester
CAS Number:
167758-89-6
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
MDL Number:
MFCD06204414
IUPAC Name:
ethyl 4-fluoro-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8F4O2/c1-2-16-9(15)7-4-3-6(11)5-8(7)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
QDOQNCZRSWZZOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1C(F)(F)F)F
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.166g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties