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CAS No.: | 134044-50-1 |
---|---|
Name: | 2-(3-NITRO-PHENYL)-IMIDAZO[1,2-A]PYRIMIDINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H8N4O2 |
Molecular Weight: | 240.221 |
Synonyms: | 2-(3-Nitrophenyl)imidazo[1,2-a]pyrimidine; |
Density: | 1.448 g/cm3 |
PSA: | 76.01000 |
LogP: | 2.82770 |
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The 2-(3-Nitrophenyl)imidazo[1,2-a]pyrimidine is an organic compound with the formula C12H8N4O2. The IUPAC name of this chemical is 2-(3-nitrophenyl)imidazo[1,2-a]pyrimidine. With the CAS registry number 134044-50-1, it is also named as imidazo[1,2-a]pyrimidine, 2-(3-nitrophenyl)-.
Physical properties about 2-(3-Nitrophenyl)imidazo[1,2-a]pyrimidine are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.911; (3)ACD/LogD (pH 7.4): 1.935; (4)ACD/BCF (pH 5.5): 16.452; (5)ACD/BCF (pH 7.4): 17.399; (6)ACD/KOC (pH 5.5): 254.209; (7)ACD/KOC (pH 7.4): 268.837; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.01 Å2; (11)Index of Refraction: 1.726; (12)Molar Refractivity: 65.924 cm3; (13)Molar Volume: 165.863 cm3; (14)Polarizability: 26.134×10-24cm3; (15)Surface Tension: 65.793 dyne/cm; (16)Density: 1.448 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)N(=O)=O)c2cn3cccnc3n2
(2)InChI: InChI=1/C12H8N4O2/c17-16(18)10-4-1-3-9(7-10)11-8-15-6-2-5-13-12(15)14-11/h1-8H
(3)InChIKey: ANQVNBDLIKNGOQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H8N4O2/c17-16(18)10-4-1-3-9(7-10)11-8-15-6-2-5-13-12(15)14-11/h1-8H
(5)Std. InChIKey: ANQVNBDLIKNGOQ-UHFFFAOYSA-N