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Home > Nitro Compounds > 79917-39-8
79917-39-8 | Pyrimidine, 2-nitroso-
CAS No: 79917-39-8 Catalog No: AG005F6T MDL No:
Product Description
Catalog Number:
AG005F6T
Chemical Name:
Pyrimidine, 2-nitroso-
CAS Number:
79917-39-8
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
IUPAC Name:
2-nitrosopyrimidine
InChI:
InChI=1S/C4H3N3O/c8-7-4-5-2-1-3-6-4/h1-3H
InChI Key:
FLFZMCJIHCDWKG-UHFFFAOYSA-N
SMILES:
O=Nc1ncccn1
Properties
Complexity:
79.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.028g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.088g/mol
Monoisotopic Mass:
109.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship study of nitrosopyrimidines acting as antifungal agents. | Bioorganic & medicinal chemistry 20121015 |
| 2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl N-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions. | Acta crystallographica. Section C, Crystal structure communications 20120501 |
| Design, synthesis and biological activities of antiangiogenic hypoxic cytotoxin, triazine-N-oxide derivatives. | Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20020501 |
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