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Home > Fluorides > 921932-39-0
921932-39-0 | 2-Buten-1-one, 4,4,4-trifluoro-2-(4-methoxyphenyl)-1-phenyl-, (2Z)-
CAS No: 921932-39-0 Catalog No: AG006FX4 MDL No:
Product Description
Catalog Number:
AG006FX4
Chemical Name:
2-Buten-1-one, 4,4,4-trifluoro-2-(4-methoxyphenyl)-1-phenyl-, (2Z)-
CAS Number:
921932-39-0
Molecular Formula:
C17H13F3O2
Molecular Weight:
306.2791
IUPAC Name:
4,4,4-trifluoro-2-(4-methoxyphenyl)-1-phenylbut-2-en-1-one
InChI:
InChI=1S/C17H13F3O2/c1-22-14-9-7-12(8-10-14)15(11-17(18,19)20)16(21)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
QYKVZHWCZKMXFL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C(=C/C(F)(F)F)/C(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.284g/mol
Monoisotopic Mass:
306.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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