Home Nitros 6-Chloro-5-nitropyrimidine-2,4-diol

6-Chloro-5-nitropyrimidine-2,4-diol

CAS No.:
6630-30-4
Catalog Number:
AG003N64
Molecular Formula:
C4H2ClN3O4
Molecular Weight:
191.5294
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Product Description
Catalog Number:
AG003N64
Chemical Name:
6-Chloro-5-nitropyrimidine-2,4-diol
CAS Number:
6630-30-4
Molecular Formula:
C4H2ClN3O4
Molecular Weight:
191.5294
MDL Number:
MFCD00955560
IUPAC Name:
6-chloro-5-nitro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H2ClN3O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H2,6,7,9,10)
InChI Key:
GPFMSTOIHBOPQA-UHFFFAOYSA-N
SMILES:
Oc1nc(O)c(c(n1)Cl)[N+](=O)[O-]
NSC Number:
60045
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.973g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.527g/mol
Monoisotopic Mass:
190.973g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties