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Home > Fluorides > 955404-13-4
955404-13-4 | N-Benzyl-5-(4-trifluoromethylbenzyl)isoxazolidine
CAS No: 955404-13-4 Catalog No: AG01F9EP MDL No:
Product Description
Catalog Number:
AG01F9EP
Chemical Name:
N-Benzyl-5-(4-trifluoromethylbenzyl)isoxazolidine
CAS Number:
955404-13-4
Molecular Formula:
C18H18F3NO
Molecular Weight:
321.3368
IUPAC Name:
2-benzyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazolidine
InChI:
InChI=1S/C18H18F3NO/c19-18(20,21)16-8-6-14(7-9-16)12-17-10-11-22(23-17)13-15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChI Key:
UPDXSXXSRCAATP-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CC1CCN(O1)Cc1ccccc1)(F)F
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.134g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.343g/mol
Monoisotopic Mass:
321.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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