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CAS No.: | 889447-19-2 |
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Name: | 2-chloro-5H-pyrrolo[2,3-b]pyrazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H4ClN3 |
Molecular Weight: | 153.5691 |
Synonyms: | 4H-Pyrrolo[2,3-b]pyrazine,2-chloro- (9CI);2-Chloro-5H-Pyrrolo[2,3-B]Pyrazine;5H-pyrrolo[2,3-b]pyrazine, 2-chloro-;2-chloro-5H-pyrrolo[2,3-b]pyrazine; |
Density: | 1.531 g/cm3 |
PSA: | 41.57000 |
LogP: | 1.61130 |
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The CAS registry number of 5H-Pyrrolo[2,3-b]pyrazine,2-chloro- is 889447-19-2. The IUPAC name is 2-chloro-5H-pyrrolo[2,3-b]pyrazine. In addition, the molecular formula is C6H4ClN3 and the molecular weight is 153.5691. It belongs to the class of Chiral Chemicals. And it should be stored in a cool and dry place.
Physical properties about 5H-Pyrrolo[2,3-b]pyrazine,2-chloro- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16 ; (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: 1.72; (10)Molar Refractivity: 39.6 cm3; (11)Molar Volume: 100.2 cm3; (12)Polarizability: 15.7 ×10-24cm3; (13)Surface Tension: 74.7 dyne/cm; (14)Density: 1.531 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1nc(cn2)Cl
(2)InChI: InChI=1/C6H4ClN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
(3)InChIKey: RORAIVYFQFAIAF-UHFFFAOYAX