Home Nitros 2-Amino-5-nitropyrimidin-4(1H)-one

2-Amino-5-nitropyrimidin-4(1H)-one

CAS No.:
7254-29-7
Catalog Number:
AG0064BR
Molecular Formula:
C4H4N4O3
Molecular Weight:
156.0996
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Product Description
Catalog Number:
AG0064BR
Chemical Name:
2-Amino-5-nitropyrimidin-4(1H)-one
CAS Number:
7254-29-7
Molecular Formula:
C4H4N4O3
Molecular Weight:
156.0996
MDL Number:
MFCD22495111
IUPAC Name:
2-amino-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4N4O3/c5-4-6-1-2(8(10)11)3(9)7-4/h1H,(H3,5,6,7,9)
InChI Key:
XQMCRIHJUALWCL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(nc1=O)N
NSC Number:
73278
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.101g/mol
Monoisotopic Mass:
156.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties