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CAS No.: | 588720-62-1 |
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Name: | Ethyl 6-bromoH-pyrrolo[1,2-a]pyrazine-3-carboxylate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H9BrN2O2 |
Molecular Weight: | 269.10 |
Synonyms: | ethyl 6-bromoH-pyrrolo[1,2-a]pyrazine-3-carboxylate;Ethyl 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylate;Ethyl 6-bromo-1H-pyrrolo[1,2-a]pyrazine-3-carboxylate;6-Bromo-pyrrolo[1,2-a]pyrazine-3-carboxylic acid ethyl ester |
Density: | 1.606 g/cm3 |
PSA: | 43.60000 |
LogP: | 2.27350 |
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This chemical is called Ethyl 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylate, and it can also be named as Pyrrolo[1,2-a]pyrazine-3-carboxylic acid, 6-bromo-, ethyl ester. With the molecular formula of C10H9BrN2O2, its molecular weight is 269.10. The CAS registry number of this chemical is 588720-62-1.
Other characteristics of the Ethyl 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylate can be summarised as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 322; (8)ACD/KOC (pH 7.4): 322; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 60.153 cm3; (15)Molar Volume: 167.539 cm3; (16)Polarizability: 23.847×10-24cm3; (17)Surface Tension: 50.038 dyne/cm; (18)Density: 1.606 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c1cn2c(Br)ccc2cn1
2.InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)8-6-13-7(5-12-8)3-4-9(13)11/h3-6H,2H2,1H3
3.InChIKey: OUVGPYXZIPFYLJ-UHFFFAOYAZ