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CAS No.: | 1000018-56-3 |
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Name: | 6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid |
Molecular Structure: | |
Formula: | C7H4BrN3O2 |
Molecular Weight: | 242.03 |
Synonyms: | 6-Bromo-4-hydroimidazo[1,2-a]pyrazine-2-carboxylic acid; |
Density: | 2.09 g/cm3 |
PSA: | 67.49000 |
LogP: | 1.19000 |
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The CAS registry number of Imidazo[1,2-a]pyrazine-2-carboxylicacid, 6-bromo- is 1000018-56-3. The IUPAC name is 6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid. In addition, the molecular formula is C7H4BrN3O2 and the molecular weight is 242.03. What's more, it belongs to the classes of Carboxylic Acids; Carboxylic Acids; Fused Ring Systems. And it should be stored in a cool and dry place.
Physical properties about Imidazo[1,2-a]pyrazine-2-carboxylicacid, 6-bromo- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 67.49 Å2; (7)Index of Refraction: 1.791; (8)Molar Refractivity: 49.02 cm3; (9)Molar Volume: 115.5 cm3; (10)Polarizability: 19.43 ×10-24cm3; (11)Surface Tension: 78.1 dyne/cm; (12)Density: 2.09 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2nc(cn2cc(n1)Br)C(=O)O
(2)InChI: InChI=1/C7H4BrN3O2/c8-5-3-11-2-4(7(12)13)10-6(11)1-9-5/h1-3H,(H,12,13)
(3)InChIKey: KEMAWFHELKESRS-UHFFFAOYAV