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Cas Database |
| Name |
1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- |
EINECS | N/A |
| CAS No. | 52494-53-8 | Density | 1.62 g/cm3 |
| PSA | 43.08000 | LogP | 1.93090 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H5ClN4 | Boiling Point | N/A |
| Molecular Weight | 204.619 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
NSC 228171; |
Article Data | 5 |
1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- Specification
This chemical is called 1,2,4-Triazolo[3,4-a]phthalazine,6-chloro-, and its systematic name is 6-chloro[1,2,4]triazolo[3,4-a]phthalazine. With the molecular formula of C9H5ClN4, its molecular weight is 204.62. The CAS registry number of this chemical is 52494-53-8.
Other characteristics of the 1,2,4-Triazolo[3,4-a]phthalazine,6-chloro- can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 43.08 Å2; (7)Index of Refraction: 1.803; (8)Molar Refractivity: 54.09 cm3; (9)Molar Volume: 126.1 cm3; (10)Polarizability: 21.44×10-24cm3; (11)Surface Tension: 66 dyne/cm; (12)Density: 1.62 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2nn1c(nnc1)c3c2cccc3
2.InChI: InChI=1/C9H5ClN4/c10-8-6-3-1-2-4-7(6)9-12-11-5-14(9)13-8/h1-5H
3.InChIKey: BSXQUTKJCQAPNE-UHFFFAOYAV
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