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CAS No.: | 28266-96-8 |
---|---|
Name: | 2-(4-NITRO-PHENYL)-IMIDAZO[1,2-A]PYRIMIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H8N4O2 |
Molecular Weight: | 240.221 |
Synonyms: | Imidazo[1,2-a]pyrimidine,2-(p-nitrophenyl)- (7CI,8CI); |
Density: | 1.44 g/cm3 |
PSA: | 76.01000 |
LogP: | 2.82770 |
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This chemical is called 2-(4-Nitrophenyl)imidazo[1,2-a]pyrimidine, and it can also be named as Imidazolo[1,2-a]pyrimidine, 2-(4-nitrophenyl)-. With the molecular formula of C12H8N4O2, its molecular weight is 240.22. The CAS registry number of this chemical is 28266-96-8.
Other characteristics of the 2-(4-Nitrophenyl)imidazo[1,2-a]pyrimidine can be summarised as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.65; (6)ACD/BCF (pH 7.4): 22.76; (7)ACD/KOC (pH 5.5): 324.34; (8)ACD/KOC (pH 7.4): 325.9; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.01 Å2; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 65.92 cm3; (15)Molar Volume: 165.8 cm3; (16)Polarizability: 26.13×10-24cm3; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.44 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c3ccc(c1nc2ncccn2c1)cc3
2.InChI: InChI=1/C12H8N4O2/c17-16(18)10-4-2-9(3-5-10)11-8-15-7-1-6-13-12(15)14-11/h1-8H
3.InChIKey: VUTPRDYSRJDBRS-UHFFFAOYAF