Cas no 2406-04-4 (2,5-Cyclohexadien-1-one, 4-(phenylimino)-)
2406-04-4 structure
Product Name:2,5-Cyclohexadien-1-one, 4-(phenylimino)-
2,5-Cyclohexadien-1-one, 4-(phenylimino)- Chemical and Physical Properties
Names and Identifiers
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- 2,5-Cyclohexadien-1-one, 4-(phenylimino)-
- 4-(Phenylimino)-2,5-cyclohexadien-1-one
- N-phenyl-1,4-benzoquinone monoimine
- 2406-04-4
- DTXSID70345258
- AKOS001588390
- SCHEMBL1813567
- 4-(Phenylimino)-2,5-cyclohexadien-1-one #
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- Inchi： 1S/C12H9NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H
- InChI Key： DTYANCALLQJURE-UHFFFAOYSA-N
- SMILES： O=C1C=C/C(/C=C1)=N/C1C=CC=CC=1
Computed Properties
- Exact Mass: 183.06847
- Monoisotopic Mass: 183.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
2,5-Cyclohexadien-1-one, 4-(phenylimino)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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