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| CAS No.: | 875781-44-5 |
|---|---|
| Name: | 2-Bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H3BrIN3 |
| Molecular Weight: | 323.918 |
| Synonyms: | 4H-Pyrrolo[2,3-b]pyrazine,2-bromo-7-iodo- (9CI);2-Bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-Bromo-7-iodo-5H-pyrrolo[3,2-b]pyrazine; |
| Density: | 2.559g/cm3 |
| Boiling Point: | 311℃ |
| Flash Point: | 142℃ |
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Specification
The 2-Bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine, with CAS registry number 875781-44-5, belongs to the following product category: Chiral Chemicals. It has the systematic name of 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine. And the chemical formula of this chemical is C6H3BrIN3.
Physical properties of 2-Bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.06; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 41.57 Å2; (9)Index of Refraction: 1.824; (10)Molar Refractivity: 55.3 cm3; (11)Molar Volume: 126.5 cm3; (12)Polarizability: 21.92×10-24cm3; (13)Surface Tension: 85.6 dyne/cm; (14)Density: 2.559 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc2ncc(I)c2n1
(2)InChI: InChI=1/C6H3BrIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
(3)InChIKey: ULGMTONBTOMHOK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H3BrIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
(5)Std. InChIKey: ULGMTONBTOMHOK-UHFFFAOYSA-N