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Home > Fluorides > 122408-82-6
122408-82-6 | 1,4-Naphthalenedione, 2-(fluoromethyl)-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
CAS No: 122408-82-6 Catalog No: AG00177E MDL No:
Product Description
Catalog Number:
AG00177E
Chemical Name:
1,4-Naphthalenedione, 2-(fluoromethyl)-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
CAS Number:
122408-82-6
Molecular Formula:
C31H45FO2
Molecular Weight:
468.6862
IUPAC Name:
2-(fluoromethyl)-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
InChI:
InChI=1S/C31H45FO2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-28-29(21-32)31(34)27-18-7-6-17-26(27)30(28)33/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3
InChI Key:
NRJMDRKOVOXYTJ-UHFFFAOYSA-N
SMILES:
FCC1=C(CC=C(CCCC(CCCC(CCCC(C)C)C)C)C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.34g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.697g/mol
Monoisotopic Mass:
468.34g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
10.7
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