Home Other Building Blocks Benzoic acid,2,3,5-trifluoro-, ethyl ester

Benzoic acid,2,3,5-trifluoro-, ethyl ester

CAS No.:
773135-01-6
Catalog Number:
AG008NA1
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$232
- +
5g
1 week
United States
$621
- +
Product Description
Catalog Number:
AG008NA1
Chemical Name:
Benzoic acid,2,3,5-trifluoro-, ethyl ester
CAS Number:
773135-01-6
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD11111869
IUPAC Name:
ethyl 2-(2,3,5-trifluorophenyl)acetate
InChI:
InChI=1S/C10H9F3O2/c1-2-15-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4H2,1H3
InChI Key:
NIEIIMWTZHORRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(F)cc(c1F)F
Properties
Complexity:
223  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties