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CAS No.: | 23766-62-3 |
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Name: | 5-nitro-6-phenylpyrimidine-2,4(1H,3H)-dione |
Molecular Structure: | |
Formula: | C10H7N3O4 |
Molecular Weight: | 233.183 |
Synonyms: | NSC 211282;Uracil,5-nitro-6-phenyl- (8CI); |
Density: | 1.53 g/cm3 |
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The 5-Nitro-6-phenylpyrimidine-2,4-diol, with the CAS registry number 23766-62-3, is also known as 2,4-Pyrimidinediol, 5-nitro-6-phenyl-. This chemical's molecular formula is C10H7N3O4 and molecular weight is 233.18028. Its IUPAC name is called 5-nitro-6-phenyl-1H-pyrimidine-2,4-dione.
Physical properties of 5-Nitro-6-phenylpyrimidine-2,4-diol: (1)ACD/LogP: 0.26; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.662; (6)Molar Refractivity: 56.25 cm3; (7)Molar Volume: 151.9 cm3; (8)Surface Tension: 70.4 dyne/cm; (9)Density: 1.53 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC(=O)N2)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H7N3O4/c14-9-8(13(16)17)7(11-10(15)12-9)6-4-2-1-3-5-6/h1-5H,(H2,11,12,14,15)
(3)InChIKey: WKJBXBYHCDJRRY-UHFFFAOYSA-N