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Home > Fluorides > 819866-06-3
819866-06-3 | Benzene,1-[(1E)-2-ethoxy-1-(trifluoromethyl)ethenyl]-3-methyl-
CAS No: 819866-06-3 Catalog No: AG0054O2 MDL No:
Product Description
Catalog Number:
AG0054O2
Chemical Name:
Benzene,1-[(1E)-2-ethoxy-1-(trifluoromethyl)ethenyl]-3-methyl-
CAS Number:
819866-06-3
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
1-(1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl)-3-methylbenzene
InChI:
InChI=1S/C12H13F3O/c1-3-16-8-11(12(13,14)15)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChI Key:
CPNOTZUOQGLKKI-UHFFFAOYSA-N
SMILES:
CCO/C=C(/C(F)(F)F)\c1cccc(c1)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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