Cas no 42540-91-0 (6-Nitro-1,2-benzisoxazole-3-carboxylic acid (1-))
42540-91-0 structure
Product Name:6-Nitro-1,2-benzisoxazole-3-carboxylic acid (1-)
CAS No:42540-91-0
MF:C8H3N2O5
MW:207.11982178688
CID:2637295
PubChem ID:39227
Update Time:2025-04-21
6-Nitro-1,2-benzisoxazole-3-carboxylic acid (1-) Chemical and Physical Properties
Names and Identifiers
-
- 6-nitro-1,2-benzoxazole-3-carboxylate
- 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID (1-)
- SCHEMBL492851
- DTXSID10195335
- 42540-91-0
- 6-Nitro-1,2-benzisoxazole-3-carboxylic acid (1-)
-
- Inchi： 1S/C8H4N2O5/c11-8(12)7-5-2-1-4(10(13)14)3-6(5)15-9-7/h1-3H,(H,11,12)/p-1
- InChI Key： ZLEFVQVMLIQEOU-UHFFFAOYSA-M
- SMILES： O1C2C=C(C=CC=2C(C(=O)[O-])=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 207.00419620Da
- Monoisotopic Mass: 207.00419620Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 284
- 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: 112?2
6-Nitro-1,2-benzisoxazole-3-carboxylic acid (1-) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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