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Basic Information
CAS No.: 916420-30-9
Name: 6-BROMO-4-CHLOROPYRROLO[1,2-F][1,2,4]TRIAZINE
Article Data: 2
Molecular Structure:
Molecular Structure of 916420-30-9 (6-BROMO-4-CHLOROPYRROLO[1,2-F][1,2,4]TRIAZINE)
Formula: C6H3BrClN3
Molecular Weight: 232.467
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;
Density: 2.03 g/cm3
PSA: 30.19000
LogP: 2.14520
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  • 6-Bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine

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    916420-30-9

    6-Bromo-4-chloro-pyrrolo[2,1-f][1,2,4]triazine

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    Molecular Formula： C6H3BrClN3 Molecular Weight： 232.468Appearance:off white solid

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Specification

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