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Home > Fluorides > 119052-95-8
119052-95-8 | 1,4-Naphthalenedione, 2-(3,7,11,15-tetramethyl-2-hexadecenyl)-3-(trifluoromethyl)-, [R-[R*,R*-(E)]]- (9CI)
CAS No: 119052-95-8 Catalog No: AG000P5I MDL No:
Product Description
Catalog Number:
AG000P5I
Chemical Name:
1,4-Naphthalenedione, 2-(3,7,11,15-tetramethyl-2-hexadecenyl)-3-(trifluoromethyl)-, [R-[R*,R*-(E)]]- (9CI)
CAS Number:
119052-95-8
IUPAC Name:
2-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-3-(trifluoromethyl)naphthalene-1,4-dione
InChI:
InChI=1S/C31H43F3O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-27-28(31(32,33)34)30(36)26-18-7-6-17-25(26)29(27)35/h6-7,17-19,21-23H,8-16,20H2,1-5H3/t22-,23-/m1/s1
InChI Key:
FFWJVWFHORVNTD-DHIUTWEWSA-N
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
504.322g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.678g/mol
Monoisotopic Mass:
504.322g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
11.4
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