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Home > Fluorides > 821799-39-7
821799-39-7 | Benzene, [3-ethenyl-5-methyl-3-(trifluoromethyl)hexyl]-
CAS No: 821799-39-7 Catalog No: AG005HX9 MDL No:
Product Description
Catalog Number:
AG005HX9
Chemical Name:
Benzene, [3-ethenyl-5-methyl-3-(trifluoromethyl)hexyl]-
CAS Number:
821799-39-7
Molecular Formula:
C16H21F3
Molecular Weight:
270.3331
IUPAC Name:
[3-ethenyl-5-methyl-3-(trifluoromethyl)hexyl]benzene
InChI:
InChI=1S/C16H21F3/c1-4-15(12-13(2)3,16(17,18)19)11-10-14-8-6-5-7-9-14/h4-9,13H,1,10-12H2,2-3H3
InChI Key:
AXPVOYMJICIIGZ-UHFFFAOYSA-N
SMILES:
C=CC(C(F)(F)F)(CC(C)C)CCc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.16g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.339g/mol
Monoisotopic Mass:
270.16g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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