Cas no 7470-48-6 (2-Phenazinol,7-chloro-, 5-oxide)
7470-48-6 structure
Product Name:2-Phenazinol,7-chloro-, 5-oxide
CAS No:7470-48-6
MF:C12H7ClN2O2
MW:246.649181604385
CID:578316
PubChem ID:135441732
Update Time:2025-04-19
2-Phenazinol,7-chloro-, 5-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Phenazinol,7-chloro-, 5-oxide
- 7-chloro-5-oxido-10H-phenazin-5-ium-2-one
- AC1L82FM
- NSC402800
- NSC-402800
- DTXSID90323018
- 7470-48-6
-
- Inchi： 1S/C12H7ClN2O2/c13-7-1-3-9-12(5-7)15(17)11-4-2-8(16)6-10(11)14-9/h1-6,16H
- InChI Key： MRKDGWYWVHLCND-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)[N+](=C1C=CC(=CC1=N2)O)[O-]
Computed Properties
- Exact Mass: 246.01971
- Monoisotopic Mass: 246.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 292
- 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: 58.6?2
Experimental Properties
- PSA: 55.17
- LogP: 3.17550
2-Phenazinol,7-chloro-, 5-oxide Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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