Cas no 1200-96-0 (Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro-)
1200-96-0 structure
Product Name:Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro-
CAS No:1200-96-0
MF:C5H3Cl2N3O3
MW:224.001618623734
CID:1209024
PubChem ID:15016821
Update Time:2025-04-20
Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro-
- 4,6-dichloro-2-methoxy-5-nitropyrimidine
- 4,6-dichloro-2-methoxy-5-nitro-pyrimidine
- SCHEMBL9124111
- 1200-96-0
- A892338
-
- Inchi： 1S/C5H3Cl2N3O3/c1-13-5-8-3(6)2(10(11)12)4(7)9-5/h1H3
- InChI Key： WWIDJKPDVOCSNP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)OC)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.9551464g/mol
- Monoisotopic Mass: 222.9551464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 2.3
- Topological Polar Surface Area: 80.8?2
Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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