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69291-63-0 | Ethanone, 1-(3,3,6,6-tetrafluoro-1,4-cyclohexadien-1-yl)-
CAS No: 69291-63-0 Catalog No: AG006GGY MDL No:
Product Description
Catalog Number:
AG006GGY
Chemical Name:
Ethanone, 1-(3,3,6,6-tetrafluoro-1,4-cyclohexadien-1-yl)-
CAS Number:
69291-63-0
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
IUPAC Name:
1-(3,3,6,6-tetrafluorocyclohexa-1,4-dien-1-yl)ethanone
InChI:
InChI=1S/C8H6F4O/c1-5(13)6-4-7(9,10)2-3-8(6,11)12/h2-4H,1H3
InChI Key:
MOBIEGFFXDOBNE-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CC(F)(F)C=CC1(F)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.129g/mol
Monoisotopic Mass:
194.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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