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| CAS No.: | 889939-42-8 |
|---|---|
| Name: | 4-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C6H4BrN3 |
| Molecular Weight: | 198.02 |
| Synonyms: | 4-Bromo-7H-pyrrolo[2,3-d]pyrimidine; |
| Density: | 1.895 g/cm3 |
| PSA: | 41.57000 |
| LogP: | 1.72040 |
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Specification
The chemical with CAS registry number of 889939-42-8 is known as 7H-Pyrrolo[2,3-d]pyrimidine, 4-bromo-. The systematic name is 4-Bromo-7H-pyrrolo[2,3-d]pyrimidine. In addition, the formula is C6H4BrN3 and the molecular weight is 198.02.
Physical properties about 7H-Pyrrolo[2,3-d]pyrimidine, 4-bromo- are: (1)ACD/LogP: 1.44 ; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)Polar Surface Area: 41.57Å2; (5)Index of Refraction: 1.746; (6)Molar Refractivity: 42.401 cm3; (7)Molar Volume: 104.504 cm3; (8)Polarizability: 16.809×10-24cm3; (9)Surface Tension: 76.935 dyne/cm; (10)Density: 1.895 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: Brc2ncnc1nccc12
2. InChI: InChI=1/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
3. InChIKey: ZFGUUMUJFWDZAB-UHFFFAOYAI
4. Std. InChI: InChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
5. Std. InChIKey: ZFGUUMUJFWDZAB-UHFFFAOYSA-N