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Home > Fluorides > 114008-94-5
114008-94-5 | Oxazolidine, 5-ethyl-2,3-bis[3-(trifluoromethyl)phenyl]-
CAS No: 114008-94-5 Catalog No: AG000AAP MDL No:
Product Description
Catalog Number:
AG000AAP
Chemical Name:
Oxazolidine, 5-ethyl-2,3-bis[3-(trifluoromethyl)phenyl]-
CAS Number:
114008-94-5
Molecular Formula:
C19H17F6NO
Molecular Weight:
389.3348
IUPAC Name:
5-ethyl-2,3-bis[3-(trifluoromethyl)phenyl]-1,3-oxazolidine
InChI:
InChI=1S/C19H17F6NO/c1-2-16-11-26(15-8-4-7-14(10-15)19(23,24)25)17(27-16)12-5-3-6-13(9-12)18(20,21)22/h3-10,16-17H,2,11H2,1H3
InChI Key:
FXTSZWZNOWXJJY-UHFFFAOYSA-N
SMILES:
CCC1CN(C(O1)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.341g/mol
Monoisotopic Mass:
389.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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