Cas no 97944-38-2 (Pyridine, 3-bromo-5-methyl-4-nitro-, 1-oxide)
97944-38-2 structure
Product Name:Pyridine, 3-bromo-5-methyl-4-nitro-, 1-oxide
CAS No:97944-38-2
MF:C6H5BrN2O3
MW:233.019500494003
CID:2820450
Update Time:2023-08-07
Pyridine, 3-bromo-5-methyl-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-5-methyl-4-nitro-1-oxidopyridin-1-ium
- 3-Bromo-5-methyl-4-nitropyridine 1-oxide
- Pyridine, 3-bromo-5-methyl-4-nitro-, 1-oxide
- 3-Bromo-5-methyl-4-nitro-1-oxo-1lambda~5~-pyridine
-
- Inchi： 1S/C6H5BrN2O3/c1-4-2-8(10)3-5(7)6(4)9(11)12/h2-3H,1H3
- InChI Key： YBGKYSWNNHYRPT-UHFFFAOYSA-N
- SMILES： BrC1=C[N+](=CC(C)=C1[N+](=O)[O-])[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- XLogP3: 0.7
- Topological Polar Surface Area: 71.3
Pyridine, 3-bromo-5-methyl-4-nitro-, 1-oxide Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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