Cas no 60331-16-0 (PYRIMIDINE, 4-CHLORO-2,6-DIMETHYL-5-NITRO-)
60331-16-0 structure
Product Name:PYRIMIDINE, 4-CHLORO-2,6-DIMETHYL-5-NITRO-
CAS No:60331-16-0
MF:C6H6ClN3O2
MW:187.583739757538
CID:3522618
PubChem ID:20641967
Update Time:2025-04-21
PYRIMIDINE, 4-CHLORO-2,6-DIMETHYL-5-NITRO- Chemical and Physical Properties
Names and Identifiers
-
- PYRIMIDINE, 4-CHLORO-2,6-DIMETHYL-5-NITRO-
- SCHEMBL7077196
- 60331-16-0
- AKOS006308386
- SB56789
- DTXSID001279185
- 4-Chloro-2,6-dimethyl-5-nitropyrimidine
-
- Inchi： 1S/C6H6ClN3O2/c1-3-5(10(11)12)6(7)9-4(2)8-3/h1-2H3
- InChI Key： BDIHKEUEMAZUAU-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)=NC(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 187.0148541Da
- Monoisotopic Mass: 187.0148541Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- 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: 1.8
- Topological Polar Surface Area: 71.6?2
PYRIMIDINE, 4-CHLORO-2,6-DIMETHYL-5-NITRO- Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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