Cas no 192511-85-6 (2-Methyl-5-nitro-2,3-dihydrophthalazine-1,4-dione)
192511-85-6 structure
Product Name:2-Methyl-5-nitro-2,3-dihydrophthalazine-1,4-dione
CAS No:192511-85-6
MF:C9H7N3O4
MW:221.169581651688
CID:2787617
PubChem ID:71347504
Update Time:2025-04-21
2-Methyl-5-nitro-2,3-dihydrophthalazine-1,4-dione Chemical and Physical Properties
Names and Identifiers
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- 192511-85-6
- DTXSID50773439
- 2-Methyl-5-nitro-2,3-dihydrophthalazine-1,4-dione
-
- Inchi： 1S/C9H7N3O4/c1-11-9(14)5-3-2-4-6(12(15)16)7(5)8(13)10-11/h2-4H,1H3,(H,10,13)
- InChI Key： GGYPGLCDXBGIIB-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=C(C=2C(NN1C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 221.04365571Da
- Monoisotopic Mass: 221.04365571Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 351
- 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: 0.5
- Topological Polar Surface Area: 95.2?2
2-Methyl-5-nitro-2,3-dihydrophthalazine-1,4-dione Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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