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Home > Nitro Compounds > 834878-14-7
834878-14-7 | 2,4(1H,3H)-Pyrimidinedione, 5-nitroso-6-(2-phenylhydrazino)-
CAS No: 834878-14-7 Catalog No: AG004V97 MDL No:
Product Description
Catalog Number:
AG004V97
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-nitroso-6-(2-phenylhydrazino)-
CAS Number:
834878-14-7
Molecular Formula:
C10H9N5O3
Molecular Weight:
247.2102
IUPAC Name:
5-nitroso-6-(2-phenylhydrazinyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H9N5O3/c16-9-7(15-18)8(11-10(17)12-9)14-13-6-4-2-1-3-5-6/h1-5,13H,(H3,11,12,14,16,17)
InChI Key:
ITNKPEAVWRICSN-UHFFFAOYSA-N
SMILES:
O=Nc1c(NNc2ccccc2)[nH]c(=O)[nH]c1=O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.214g/mol
Monoisotopic Mass:
247.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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