Cas no 57764-52-0 (1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID, 5,6-DINITRO-, METHYL ESTER)
57764-52-0 structure
Product Name:1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID, 5,6-DINITRO-, METHYL ESTER
CAS No:57764-52-0
MF:C9H5N3O7
MW:267.151901960373
CID:3180252
PubChem ID:85853708
Update Time:2025-04-21
1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID, 5,6-DINITRO-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID, 5,6-DINITRO-, METHYL ESTER
- 57764-52-0
- Methyl 5,6-dinitro-1,2-benzisoxazole-3-carboxylate
- DTXSID201229879
-
- Inchi： 1S/C9H5N3O7/c1-18-9(13)8-4-2-5(11(14)15)6(12(16)17)3-7(4)19-10-8/h2-3H,1H3
- InChI Key： IDZGMVUJSXAWBN-UHFFFAOYSA-N
- SMILES： O1C2C=C(C(=CC=2C(C(=O)OC)=N1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 267.01274951Da
- Monoisotopic Mass: 267.01274951Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 404
- 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: 1.6
- Topological Polar Surface Area: 144?2
1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID, 5,6-DINITRO-, METHYL ESTER Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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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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