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CAS No.: | 918538-05-3 |
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Name: | 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H3Cl2N3 |
Molecular Weight: | 188.016 |
Synonyms: | Pyrrolo[2,1-f][1,2,4]triazine, 2,4-dichloro-;2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine;2,4-Dichloropyrrolo[1,2-f][1,2,4]triazine;2,4-Dichloro-pyrrolo[2,1-...;4-Dichloropyrrolo[1 |
EINECS: | 1312995-182-4 |
Density: | 1.696 g/cm3 |
PSA: | 30.19000 |
LogP: | 2.03610 |
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The 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine is an organic compound with the formula C6H3Cl2N3. The IUPAC name of this chemical is 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine. With the CAS registry number 918538-05-3, it is also named as Pyrrolo[2,1-f][1,2,4]triazine, 2,4-dichloro-. The product's category is API Intermediates.
Physical properties about 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.899; (3)ACD/LogD (pH 7.4): 1.899; (4)ACD/BCF (pH 5.5): 16.342; (5)ACD/BCF (pH 7.4): 16.342; (6)ACD/KOC (pH 5.5): 257.105; (7)ACD/KOC (pH 7.4): 257.105; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.19 Å2; (10)Index of Refraction: 1.733; (11)Molar Refractivity: 44.36 cm3; (12)Molar Volume: 110.838 cm3; (13)Polarizability: 17.586×10-24cm3; (14)Surface Tension: 59.435 dyne/cm; (15)Density: 1.696 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(nc(nn2c1)Cl)Cl
(2)InChI: InChI=1/C6H3Cl2N3/c7-5-4-2-1-3-11(4)10-6(8)9-5/h1-3H
(3)InChIKey: BSZGZNRUUJXKKQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H3Cl2N3/c7-5-4-2-1-3-11(4)10-6(8)9-5/h1-3H
(5)Std. InChIKey: BSZGZNRUUJXKKQ-UHFFFAOYSA-N