200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1396997-66-2
1396997-66-2 | Benzeneacetic acid, α-(diethoxyphosphinyl)-3-(trifluoromethyl)-, methyl ester
CAS No: 1396997-66-2 Catalog No: AG001BIX MDL No:
Product Description
Catalog Number:
AG001BIX
Chemical Name:
Benzeneacetic acid, α-(diethoxyphosphinyl)-3-(trifluoromethyl)-, methyl ester
CAS Number:
1396997-66-2
Molecular Formula:
C14H18F3O5P
Molecular Weight:
354.2587
IUPAC Name:
methyl 2-diethoxyphosphoryl-2-[3-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C14H18F3O5P/c1-4-21-23(19,22-5-2)12(13(18)20-3)10-7-6-8-11(9-10)14(15,16)17/h6-9,12H,4-5H2,1-3H3
InChI Key:
IOJFAMZQIPLFTC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1cccc(c1)C(F)(F)F)C(=O)OC)OCC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.262g/mol
Monoisotopic Mass:
354.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.