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Home > Fluorides > 919997-46-9
919997-46-9 | 1-Butanone, 4,4,4-trifluoro-3-(phenylimino)-1-(1H-pyrrol-2-yl)-
CAS No: 919997-46-9 Catalog No: AG006G6M MDL No:
Product Description
Catalog Number:
AG006G6M
Chemical Name:
1-Butanone, 4,4,4-trifluoro-3-(phenylimino)-1-(1H-pyrrol-2-yl)-
CAS Number:
919997-46-9
Molecular Formula:
C14H11F3N2O
Molecular Weight:
280.2451
IUPAC Name:
4,4,4-trifluoro-3-phenylimino-1-(1H-pyrrol-2-yl)butan-1-one
InChI:
InChI=1S/C14H11F3N2O/c15-14(16,17)13(19-10-5-2-1-3-6-10)9-12(20)11-7-4-8-18-11/h1-8,18H,9H2
InChI Key:
IHTDSXMWMQTANF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc[nH]1)CC(=Nc1ccccc1)C(F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.25g/mol
Monoisotopic Mass:
280.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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