Cas no 110298-76-5 (Benzonitrile, 2-hydroxy-5-methyl-4-nitro-)
110298-76-5 structure
Product Name:Benzonitrile, 2-hydroxy-5-methyl-4-nitro-
CAS No:110298-76-5
MF:C8H6N2O3
MW:178.14484167099
CID:3603694
PubChem ID:21273375
Update Time:2025-04-22
Benzonitrile, 2-hydroxy-5-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-hydroxy-5-methyl-4-nitro-
- 110298-76-5
- DTXSID801282215
- SCHEMBL10479952
- 2-hydroxy-5-methyl-4-nitrobenzonitrile
-
- Inchi： 1S/C8H6N2O3/c1-5-2-6(4-9)8(11)3-7(5)10(12)13/h2-3,11H,1H3
- InChI Key： JWQRZJUIVFQAHF-UHFFFAOYSA-N
- SMILES： OC1C(C#N)=CC(C)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 178.03784206Da
- Monoisotopic Mass: 178.03784206Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 252
- 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: 2
- Topological Polar Surface Area: 89.8?2
Benzonitrile, 2-hydroxy-5-methyl-4-nitro- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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