Cas no 116314-86-4 (Benzonitrile,2,3-dihydroxy-5-nitro-)
116314-86-4 structure
Product Name:Benzonitrile,2,3-dihydroxy-5-nitro-
CAS No:116314-86-4
MF:C7H4N2O4
MW:180.117661476135
CID:167212
PubChem ID:5748959
Update Time:2025-04-19
Benzonitrile,2,3-dihydroxy-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dihydroxy-5-nitrobenzonitrile
- Benzonitrile,2,3-dihydroxy-5-nitro-
- Benzonitrile, 2,3-dihydroxy-5-nitro-
- SCHEMBL7373052
- 116314-86-4
- DTXSID00151349
-
- Inchi： 1S/C7H4N2O4/c8-3-4-1-5(9(12)13)2-6(10)7(4)11/h1-2,10-11H
- InChI Key： NNQAESZIAYMADQ-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C#N)C=1O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 180.01712
- Monoisotopic Mass: 180.017107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 253
- 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
- Topological Polar Surface Area: 110
- XLogP3: 1.3
Experimental Properties
- Density: 1.69
- Boiling Point: 384.9°Cat760mmHg
- Flash Point: 186.6°C
- Refractive Index: 1.683
- PSA: 107.39
Benzonitrile,2,3-dihydroxy-5-nitro- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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