Cas no 39111-22-3 (2-Methyl-1,3,5-trinitrobenzene;pyridine)
39111-22-3 structure
Product Name:2-Methyl-1,3,5-trinitrobenzene;pyridine
CAS No:39111-22-3
MF:C12H10N4O6
MW:306.23100233078
CID:2825332
Update Time:2023-08-07
2-Methyl-1,3,5-trinitrobenzene;pyridine Chemical and Physical Properties
Names and Identifiers
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- 2-Methyl-1,3,5-trinitrobenzene--pyridine (1/1)
- 2-Methyl-1,3,5-trinitrobenzene;pyridine
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- Inchi： 1S/C7H5N3O6.C5H5N/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;1-2-4-6-5-3-1/h2-3H,1H3;1-5H
- InChI Key： SIKZERUNMUEMSH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1C)[N+](=O)[O-])[N+](=O)[O-])=O.N1C=CC=CC=1
Computed Properties
- Exact Mass: 306.06003405 g/mol
- Monoisotopic Mass: 306.06003405 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 323
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 306.23
- Topological Polar Surface Area: 150
2-Methyl-1,3,5-trinitrobenzene;pyridine Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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