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| CAS No.: | 937046-98-5 |
|---|---|
| Name: | 7-bromopyrrolo[1,2-f][1,2,4]triazin-4-amine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H5BrN4 |
| Molecular Weight: | 213.037 |
| Synonyms: | 4-Amino-7-bromo-pyrrolo[2,1-f][1,2,4]triazine; |
| Density: | 2.098 g/cm3 |
| PSA: | 56.21000 |
| LogP: | 1.65520 |
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Specification
The 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine, with the CAS registry number 937046-98-5, is also known as 4-Amino-7-bromo-pyrrolo[2,1-f][1,2,4]triazine. This chemical's molecular formula is C6H5BrN4 and molecular weight is 213.03. What's more, its systematic name is 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine.
Physical properties of 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine are: (1)ACD/LogP: -0.168; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.26; (8)ACD/KOC (pH 7.4): 19.30; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.21 Å2; (13)Index of Refraction: 1.83; (14)Molar Refractivity: 44.63 cm3; (15)Molar Volume: 101.56 cm3; (16)Polarizability: 17.693×10-24cm3; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 2.098 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc2ncnn1c2ccc1Br
(2)Std. InChI: InChI=1S/C6H5BrN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)
(3)Std. InChIKey: YGCJBESZJIGDMP-UHFFFAOYSA-N