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Home > Fluorides > 821799-68-2
821799-68-2 | Benzene, [1-(1,1-dimethylethyl)-1-(trifluoromethyl)-2-propenyl]-
CAS No: 821799-68-2 Catalog No: AG0050K2 MDL No:
Product Description
Catalog Number:
AG0050K2
Chemical Name:
Benzene, [1-(1,1-dimethylethyl)-1-(trifluoromethyl)-2-propenyl]-
CAS Number:
821799-68-2
Molecular Formula:
C14H17F3
Molecular Weight:
242.2800
IUPAC Name:
[4,4-dimethyl-3-(trifluoromethyl)pent-1-en-3-yl]benzene
InChI:
InChI=1S/C14H17F3/c1-5-13(12(2,3)4,14(15,16)17)11-9-7-6-8-10-11/h5-10H,1H2,2-4H3
InChI Key:
BTZWOUZRVGHTRZ-UHFFFAOYSA-N
SMILES:
C=CC(C(F)(F)F)(C(C)(C)C)c1ccccc1
Properties
Complexity:
266
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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