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Home > Fluorides > 113939-94-9
113939-94-9 | 2-Imidazolidinone, 4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]-
CAS No: 113939-94-9 Catalog No: AG000A3H MDL No:
Product Description
Catalog Number:
AG000A3H
Chemical Name:
2-Imidazolidinone, 4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]-
CAS Number:
113939-94-9
Molecular Formula:
C19H16F6N2O
Molecular Weight:
402.3336
IUPAC Name:
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]imidazolidin-2-one
InChI:
InChI=1S/C19H16F6N2O/c1-2-14-11-26(15-7-3-5-12(9-15)18(20,21)22)17(28)27(14)16-8-4-6-13(10-16)19(23,24)25/h3-10,14H,2,11H2,1H3
InChI Key:
QEOALCPMFVOOEQ-UHFFFAOYSA-N
SMILES:
CCC1CN(C(=O)N1c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.117g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.34g/mol
Monoisotopic Mass:
402.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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