Cas no 25844-84-2 (Benzonitrile, 2-hydroxy-3,5-dinitro-)
25844-84-2 structure
Product Name:Benzonitrile, 2-hydroxy-3,5-dinitro-
CAS No:25844-84-2
MF:C7H3N3O5
MW:209.115821123123
CID:1424269
PubChem ID:14826686
Update Time:2025-04-20
Benzonitrile, 2-hydroxy-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-hydroxy-3,5-dinitro-
- 2-hydroxy-3,5-dinitrobenzonitrile
- DTXSID20564452
- 25844-84-2
-
- Inchi： 1S/C7H3N3O5/c8-3-4-1-5(9(12)13)2-6(7(4)11)10(14)15/h1-2,11H
- InChI Key： FNVOGKWUFJGJHB-UHFFFAOYSA-N
- SMILES： OC1C(C#N)=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 209.00729
- Monoisotopic Mass: 209.00727020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 324
- 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: 1.3
- Topological Polar Surface Area: 136?2
Experimental Properties
- PSA: 130.3
Benzonitrile, 2-hydroxy-3,5-dinitro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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