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Home > Fluorides > 821799-54-6
821799-54-6 | Benzene, [3-ethenyl-3-(trifluoromethyl)undecyl]-
CAS No: 821799-54-6 Catalog No: AG0050K4 MDL No:
Product Description
Catalog Number:
AG0050K4
Chemical Name:
Benzene, [3-ethenyl-3-(trifluoromethyl)undecyl]-
CAS Number:
821799-54-6
Molecular Formula:
C20H29F3
Molecular Weight:
326.4395
IUPAC Name:
[3-ethenyl-3-(trifluoromethyl)undecyl]benzene
InChI:
InChI=1S/C20H29F3/c1-3-5-6-7-8-12-16-19(4-2,20(21,22)23)17-15-18-13-10-9-11-14-18/h4,9-11,13-14H,2-3,5-8,12,15-17H2,1H3
InChI Key:
YTRIFPNHZSGMKI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(F)(F)F)(CCc1ccccc1)C=C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.222g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.447g/mol
Monoisotopic Mass:
326.222g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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