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CAS No.: | 875781-45-6 |
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Name: | 2-bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H9BrIN3O2S |
Molecular Weight: | 478.108 |
Synonyms: | 2-Bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine; |
Density: | 2.11 g/cm3 |
Boiling Point: | 560.1 °C at 760 mmHg |
Flash Point: | 292.6 °C |
PSA: | 73.23000 |
LogP: | 4.42460 |
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The CAS registry number of 5H-Pyrrolo[2,3-b]pyrazine,2-bromo-7-iodo-5-[(4-methylphenyl)sulfonyl]- is 875781-45-6. The IUPAC name is 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine. In addition, the molecular formula is C13H9BrIN3O2S and the molecular weight is 478.10. What's more, it belongs to the class of Chiral Chemicals and should be stored in a cool and dry place.
Physical properties about 5H-Pyrrolo[2,3-b]pyrazine,2-bromo-7-iodo-5-[(4-methylphenyl)sulfonyl]-l are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3.97; (3)ACD/LogD (pH 7.4): 3.97 ; (4)#H bond acceptors: 5; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 73.23 Å2; (7)Index of Refraction: 1.777; (8)Molar Refractivity: 94.65 cm3; (9)Molar Volume: 226.2 cm3; (10)Polarizability: 37.52 ×10-24cm3; (11)Surface Tension: 66.2 dyne/cm; (12)Density: 2.11 g/cm3; (13)Flash Point: 292.6 °C; (14)Enthalpy of Vaporization: 84.26 kJ/mol; (15)Boiling Point: 560.1 °C at 760 mmHg; (16)Vapour Pressure: 1.41E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)n3cc(I)c2nc(Br)cnc23
(2)InChI: InChI=1/C13H9BrIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
(3)InChIKey: QONWBLJGJMTBKI-UHFFFAOYAS