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Home > Fluorides > 919997-52-7
919997-52-7 | 1-Butanone, 4,4,4-trifluoro-3-(phenylimino)-1-(2-pyridinyl)-
CAS No: 919997-52-7 Catalog No: AG006G6K MDL No:
Product Description
Catalog Number:
AG006G6K
Chemical Name:
1-Butanone, 4,4,4-trifluoro-3-(phenylimino)-1-(2-pyridinyl)-
CAS Number:
919997-52-7
Molecular Formula:
C15H11F3N2O
Molecular Weight:
292.2558
IUPAC Name:
4,4,4-trifluoro-3-phenylimino-1-pyridin-2-ylbutan-1-one
InChI:
InChI=1S/C15H11F3N2O/c16-15(17,18)14(20-11-6-2-1-3-7-11)10-13(21)12-8-4-5-9-19-12/h1-9H,10H2
InChI Key:
NMPKVQLUWDJKSG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)CC(=Nc1ccccc1)C(F)(F)F
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.261g/mol
Monoisotopic Mass:
292.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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