Cas no 63770-51-4 (1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-)
63770-51-4 structure
Product Name:1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-
CAS No:63770-51-4
MF:C9H8N2O3
MW:192.1714220047
CID:3180105
PubChem ID:12411321
Update Time:2025-04-21
1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO-
- 3,6-Dimethyl-5-nitrobenzo[d]isoxazole
- 63770-51-4
- SY298837
- 3,6-Dimethyl-5-nitrobenzisoxazole
-
- Inchi: 1S/C9H8N2O3/c1-5-3-9-7(6(2)10-14-9)4-8(5)11(12)13/h3-4H,1-2H3
- InChI Key: PRFLEULYCUOJCH-UHFFFAOYSA-N
- SMILES: O1C2C=C(C)C(=CC=2C(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 192.05349212Da
- Monoisotopic Mass: 192.05349212Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 241
- 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: 2.3
- Topological Polar Surface Area: 71.9?2
1,2-BENZISOXAZOLE, 3,6-DIMETHYL-5-NITRO- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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