Home Carboxys 2-ethyl-4-(trifluoromethyl)furan-3-carboxylic acid

2-ethyl-4-(trifluoromethyl)furan-3-carboxylic acid

CAS No.:
2090983-17-6
Catalog Number:
AG01BTUN
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BTUN
Chemical Name:
2-ethyl-4-(trifluoromethyl)furan-3-carboxylic acid
CAS Number:
2090983-17-6
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
MDL Number:
MFCD31665814
IUPAC Name:
2-ethyl-4-(trifluoromethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C8H7F3O3/c1-2-5-6(7(12)13)4(3-14-5)8(9,10)11/h3H,2H2,1H3,(H,12,13)
InChI Key:
SNWPUSQFIVOTNK-UHFFFAOYSA-N
SMILES:
CCc1occ(c1C(=O)O)C(F)(F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.136g/mol
Monoisotopic Mass:
208.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties