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Home > Fluorides > 819865-99-1
819865-99-1 | Benzene,1-[(1E)-2-methoxy-1-(trifluoromethyl)ethenyl]-3-methyl-
CAS No: 819865-99-1 Catalog No: AG004Z2O MDL No:
Product Description
Catalog Number:
AG004Z2O
Chemical Name:
Benzene,1-[(1E)-2-methoxy-1-(trifluoromethyl)ethenyl]-3-methyl-
CAS Number:
819865-99-1
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
IUPAC Name:
1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
InChI:
InChI=1S/C11H11F3O/c1-8-4-3-5-9(6-8)10(7-15-2)11(12,13)14/h3-7H,1-2H3
InChI Key:
LZZDFCXSCZFOKB-UHFFFAOYSA-N
SMILES:
CO/C=C(/C(F)(F)F)\c1cccc(c1)C
Properties
Complexity:
233
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:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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