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Home > Fluorides > 919998-17-7
919998-17-7 | 1-Butanone, 3-[(4-ethylphenyl)imino]-4,4,4-trifluoro-1-(2-furanyl)-
CAS No: 919998-17-7 Catalog No: AG006G6E MDL No:
Product Description
Catalog Number:
AG006G6E
Chemical Name:
1-Butanone, 3-[(4-ethylphenyl)imino]-4,4,4-trifluoro-1-(2-furanyl)-
CAS Number:
919998-17-7
Molecular Formula:
C16H14F3NO2
Molecular Weight:
309.2831
IUPAC Name:
3-(4-ethylphenyl)imino-4,4,4-trifluoro-1-(furan-2-yl)butan-1-one
InChI:
InChI=1S/C16H14F3NO2/c1-2-11-5-7-12(8-6-11)20-15(16(17,18)19)10-13(21)14-4-3-9-22-14/h3-9H,2,10H2,1H3
InChI Key:
QKFJBNZBQFFBCQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N=C(C(F)(F)F)CC(=O)c1ccco1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.288g/mol
Monoisotopic Mass:
309.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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