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Name |
6-Bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine |
EINECS | N/A |
CAS No. | 916420-30-9 | Density | 2.03 g/cm3 |
PSA | 30.19000 | LogP | 2.14520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3BrClN3 | Boiling Point | N/A |
Molecular Weight | 232.467 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrrolo[2,1-f][1,2,4]triazine, 6-bromo-4-chloro-;6-Bromo-4-chloropyrrolo[1,2-f][1,2,4]triazine;TC-068164; |
Article Data | 2 |
The 6-Bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine with CAS registry number of 916420-30-9 is also known as Pyrrolo[2,1-f][1,2,4]triazine, 6-bromo-4-chloro-. The IUPAC name and product name are the same. In addition, the formula is C6H3BrClN3 and the molecular weight is 232.47.
Physical properties about 6-Bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.71; (5)ACD/BCF (pH 7.4): 11.71; (6)ACD/KOC (pH 5.5): 202.58; (7)ACD/KOC (pH 7.4): 202.58; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.767; (10)Molar Refractivity: 47.31 cm3; (11)Molar Volume: 114 cm3; (12)Surface Tension: 63.8 dyne/cm; (13)Density: 2.03 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: c1c(cn2c1c(ncn2)Cl)Br
2. InChI: InChI=1/C6H3BrClN3/c7-4-1-5-6(8)9-3-10-11(5)2-4/h1-3H
3. InChIKey: YPMBNJLVUQKSTI-UHFFFAOYAO
4. Std. InChI: InChI=1S/C6H3BrClN3/c7-4-1-5-6(8)9-3-10-11(5)2-4/h1-3H
5. Std. InChIKey: YPMBNJLVUQKSTI-UHFFFAOYSA-N