Cas no 123316-60-9 (Benzonitrile,2-azido-4-hydroxy-3,5-diiodo-)
123316-60-9 structure
Product Name:Benzonitrile,2-azido-4-hydroxy-3,5-diiodo-
CAS No:123316-60-9
MF:C7H2I2N4O
MW:411.925924777985
CID:170324
PubChem ID:3035943
Update Time:2025-04-19
Benzonitrile,2-azido-4-hydroxy-3,5-diiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-azido-4-hydroxy-3,5-diiodo-
- 2-azido-4-hydroxy-3,5-diiodobenzonitrile
- azidoioxynil
- 3,5-Diiodo-2-azido-4-hydroxybenzonitrile
- Azido-ioxynil
- 123316-60-9
- DTXSID10153950
-
- Inchi: 1S/C7H2I2N4O/c8-4-1-3(2-10)6(12-13-11)5(9)7(4)14/h1,14H
- InChI Key: UFFOQFFMVFEBBQ-UHFFFAOYSA-N
- SMILES: IC1=C(C(=CC(C#N)=C1N=[N+]=[N-])I)O
Computed Properties
- Exact Mass: 411.83096
- Monoisotopic Mass: 411.832
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 308
- 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: 3.5
- Topological Polar Surface Area: 58.4?2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 92.78
Benzonitrile,2-azido-4-hydroxy-3,5-diiodo- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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