Cas no 1052705-84-6 (3-Nitro-4-(o-tolyl)pyridine)
3-Nitro-4-(o-tolyl)pyridine structure
Product Name:3-Nitro-4-(o-tolyl)pyridine
CAS No:1052705-84-6
MF:C12H10N2O2
MW:214.220002651215
CID:2123251
Update Time:2023-08-04
3-Nitro-4-(o-tolyl)pyridine Chemical and Physical Properties
Names and Identifiers
-
- 3-nitro-4-(o-tolyl)pyridine
- 3-nitro-4-o-tolyl-pyridine
- ASPUIBUAQZFGBK-UHFFFAOYSA-N
- 3-Nitro-4-(o-tolyl)pyridine
-
- Inchi： 1S/C12H10N2O2/c1-9-4-2-3-5-10(9)11-6-7-13-8-12(11)14(15)16/h2-8H,1H3
- InChI Key： ASPUIBUAQZFGBK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NC=CC=1C1C=CC=CC=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 252
- Topological Polar Surface Area: 58.7
3-Nitro-4-(o-tolyl)pyridine Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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