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Home > Fluorides > 116802-30-3
116802-30-3 | Benzene, 1-ethoxy-4-[1-(trifluoromethyl)ethenyl]-
CAS No: 116802-30-3 Catalog No: AG000D90 MDL No:
Product Description
Catalog Number:
AG000D90
Chemical Name:
Benzene, 1-ethoxy-4-[1-(trifluoromethyl)ethenyl]-
CAS Number:
116802-30-3
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
IUPAC Name:
1-ethoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
InChI:
InChI=1S/C11H11F3O/c1-3-15-10-6-4-9(5-7-10)8(2)11(12,13)14/h4-7H,2-3H2,1H3
InChI Key:
SIEOKVXMLAJSGV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=C)C(F)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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