200,000+ products from a single source!
sales@angenechem.com
88639-50-3 | Benzoic acid, 4-fluoro-, 2,2,2-trifluoroethyl ester
CAS No: 88639-50-3 Catalog No: AG004AE9 MDL No:
Product Description
Catalog Number:
AG004AE9
Chemical Name:
Benzoic acid, 4-fluoro-, 2,2,2-trifluoroethyl ester
CAS Number:
88639-50-3
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
IUPAC Name:
2,2,2-trifluoroethyl 4-fluorobenzoate
InChI:
InChI=1S/C9H6F4O2/c10-7-3-1-6(2-4-7)8(14)15-5-9(11,12)13/h1-4H,5H2
InChI Key:
WURIDVJVASIELX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)OCC(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:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.