Synonyms
diethyl 4-(trifluoromethyl)benzylphosphonate;99578-68-4;4-(trifluoromethyl)benzylphosphonic acid diethyl ester;SCHEMBL1353297;NTQKMIQYHZLRSW-UHFFFAOYSA-N;ZINC34746320;Diethyl 4-trifluoromethylbenzylphosphonate;diethyl (4-trifluoromethylbenzyl)phosphonate;Diethyl 4-(trifluoromethyl)benzylphosphonate, 97%;
IUPAC Name
1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene;
Molecular Weight
296.226g/mol
Molecular Formula
C12H16F3O3P;
Canonical SMILES
CCOP(=O)(CC1=CC=C(C=C1)C(F)(F)F)OCC;
InChI
InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3;
InChI Key
NTQKMIQYHZLRSW-UHFFFAOYSA-N;
Complexity
302
Covalently-Bonded Unit Count
1
Exact Mass
296.079g/mol
H-Bond Acceptor
6
Heavy Atom Count
19
Monoisotopic Mass
296.079g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
35.5A^2
