Cas no 13207-99-3 (Pyrimidine, 2-(1-methylethyl)-5-nitro-)
13207-99-3 structure
Product Name:Pyrimidine, 2-(1-methylethyl)-5-nitro-
CAS No:13207-99-3
MF:C7H9N3O2
MW:167.165261030197
CID:1234180
PubChem ID:67476786
Update Time:2025-04-20
Pyrimidine, 2-(1-methylethyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-(1-methylethyl)-5-nitro-
- 5-nitro-2-propan-2-ylpyrimidine
- DTXSID60737325
- 5-Nitro-2-(propan-2-yl)pyrimidine
- 13207-99-3
- SCHEMBL2625493
-
- Inchi： 1S/C7H9N3O2/c1-5(2)7-8-3-6(4-9-7)10(11)12/h3-5H,1-2H3
- InChI Key： NZSUYBPLRIWZCK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NC(C(C)C)=NC=1)=O
Computed Properties
- Exact Mass: 167.069476538g/mol
- Monoisotopic Mass: 167.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 159
- 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: 1.2
- Topological Polar Surface Area: 71.6?2
Pyrimidine, 2-(1-methylethyl)-5-nitro- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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