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Home > Fluorides > 821799-79-5
821799-79-5 | Benzene, 1,1'-[(1E)-1-(trifluoromethyl)-1-pentene-1,5-diyl]bis-
CAS No: 821799-79-5 Catalog No: AG005HX3 MDL No:
Product Description
Catalog Number:
AG005HX3
Chemical Name:
Benzene, 1,1'-[(1E)-1-(trifluoromethyl)-1-pentene-1,5-diyl]bis-
CAS Number:
821799-79-5
Molecular Formula:
C18H17F3
Molecular Weight:
290.3228
IUPAC Name:
(1,1,1-trifluoro-6-phenylhex-2-en-2-yl)benzene
InChI:
InChI=1S/C18H17F3/c19-18(20,21)17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-14H,7-8,11H2
InChI Key:
VQSYGEROIDRSPU-UHFFFAOYSA-N
SMILES:
FC(/C(=C/CCCc1ccccc1)/c1ccccc1)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.329g/mol
Monoisotopic Mass:
290.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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