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Home > Fluorides > 821799-77-3
821799-77-3 | Benzene, 1,1'-[(1E)-1-(trifluoromethyl)-1-propene-1,3-diyl]bis-
CAS No: 821799-77-3 Catalog No: AG005HX4 MDL No:
Product Description
Catalog Number:
AG005HX4
Chemical Name:
Benzene, 1,1'-[(1E)-1-(trifluoromethyl)-1-propene-1,3-diyl]bis-
CAS Number:
821799-77-3
Molecular Formula:
C16H13F3
Molecular Weight:
262.2696
IUPAC Name:
(1,1,1-trifluoro-4-phenylbut-2-en-2-yl)benzene
InChI:
InChI=1S/C16H13F3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChI Key:
LZGYPKOHMGPMFA-UHFFFAOYSA-N
SMILES:
FC(/C(=C/Cc1ccccc1)/c1ccccc1)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.275g/mol
Monoisotopic Mass:
262.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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