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2018-05-13 18h:55m:01s (UTC)
O
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I
Search as: As drawn ))
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Reaxys ID 3126693 View in Reaxys
1/1 Chemical Name: 2-iodo-1-(p-tolyl)propan-1-one; 2-iodo-1-p-tolylpropan-1-one; (α-Jod-aethyl)-p-tolyl-keton; 2-Jod-1-p-tolyl-propan-1on Linear Structure Formula: C10H11IO Molecular Formula: C10H11IO Molecular Weight: 274.101 Type of Substance: isocyclic InChI Key: SNAURHPLJVMOLO-UHFFFAOYSA-N Note:
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O
Substance Label (3) Label References 24
Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry - A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys
p-CH3C6H4COCHICH3
Lee, Jong Chan; Bae, Yong Hun; Synlett; nb. 4; (2003); p. 507 - 508, View in Reaxys
entry 6
Lee, Jong Chan; Jin, Yong Suk; Synthetic Communications; vol. 29; nb. 16; (1999); p. 2769 - 2774, View in Reaxys
Druglikeness (1) 1 of 1
LogP
3.404
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
2
TPSA
17.07
Lipinski Number
4
Veber Number
2
Melting Point (1) 1 of 1
Melting Point [°C]
102 - 103
Collet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 313, View in Reaxys Crystal Property Description (2) Colour & Other Location Properties yellow
References
supporting informa- Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry tion A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys
Blaetter
Collet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 313, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spectroscopy)
Chemical shifts; Spectrum
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectroscopy)
chloroform-d1
Frequency (NMR Spectro- 400 scopy) [MHz] Location
supporting information
Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry - A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys 2 of 2
Description (NMR Spectroscopy)
Chemical shifts; Spectrum
Nucleus (NMR Spectroscopy)
13C
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Solvents (NMR Spectroscopy)
chloroform-d1
Frequency (NMR Spectro- 125 scopy) [MHz] Location
supporting information
Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry - A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
ATR (attenuated total reflectance); Bands
Location
supporting information
Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry - A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); time-offlight mass spectra (TOFMS); spectrum
References
supporting informa- Gallo, Rafael D. C.; Ahmad, Anees; Metzker, Gustavo; Burtoloso, Antonio C. B.; Chemistry tion A European Journal; vol. 23; nb. 67; (2017); p. 16980 - 16984, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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