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Home > Fluorides > 479499-02-0
479499-02-0 | 2-(e)-benzylidene-6-(trifluoroacetyl)cyclohexanone
CAS No: 479499-02-0 Catalog No: AG01EW4A MDL No:MFCD04116480
Product Description
Catalog Number:
AG01EW4A
Chemical Name:
2-(e)-benzylidene-6-(trifluoroacetyl)cyclohexanone
CAS Number:
479499-02-0
Molecular Formula:
C15H13F3O2
Molecular Weight:
282.2577
MDL Number:
MFCD04116480
IUPAC Name:
(2E)-2-benzylidene-6-(2,2,2-trifluoroacetyl)cyclohexan-1-one
InChI:
InChI=1S/C15H13F3O2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19)9-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2/b11-9+
InChI Key:
SGWBMTTZEOAUDY-PKNBQFBNSA-N
SMILES:
O=C(C(F)(F)F)C1CCC/C(=C\c2ccccc2)/C1=O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
282.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.262g/mol
Monoisotopic Mass:
282.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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