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Home > Fluorides > 821799-75-1
821799-75-1 | Benzene, [(1E)-4,4-dimethyl-1-(trifluoromethyl)-1-pentenyl]-
CAS No: 821799-75-1 Catalog No: AG005HX5 MDL No:
Product Description
Catalog Number:
AG005HX5
Chemical Name:
Benzene, [(1E)-4,4-dimethyl-1-(trifluoromethyl)-1-pentenyl]-
CAS Number:
821799-75-1
Molecular Formula:
C14H17F3
Molecular Weight:
242.2800
IUPAC Name:
(1,1,1-trifluoro-5,5-dimethylhex-2-en-2-yl)benzene
InChI:
InChI=1S/C14H17F3/c1-13(2,3)10-9-12(14(15,16)17)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChI Key:
RIZAJIAUXFUHMM-UHFFFAOYSA-N
SMILES:
FC(/C(=C/CC(C)(C)C)/c1ccccc1)(F)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.128g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.285g/mol
Monoisotopic Mass:
242.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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