Cas no 859299-18-6 (4-Chloro-2-methyl-3,5-dinitropyridine)
859299-18-6 structure
Product Name:4-Chloro-2-methyl-3,5-dinitropyridine
CAS No:859299-18-6
MF:C6H4ClN3O4
MW:217.566659927368
CID:1039767
PubChem ID:53485775
Update Time:2025-04-20
4-Chloro-2-methyl-3,5-dinitropyridine Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-2-methyl-3,5-dinitropyridine
- 859299-18-6
- AKOS016006491
- DTXSID10704825
- F12687
- DB-332144
-
- Inchi： 1S/C6H4ClN3O4/c1-3-6(10(13)14)5(7)4(2-8-3)9(11)12/h2H,1H3
- InChI Key： WYIQLPFZSBJUCZ-UHFFFAOYSA-N
- SMILES： ClC1C(=CN=C(C)C=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 216.9890333g/mol
- Monoisotopic Mass: 216.9890333g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 1.5
- Topological Polar Surface Area: 105?2
4-Chloro-2-methyl-3,5-dinitropyridine 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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