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| CAS No.: | 938443-20-0 |
|---|---|
| Name: | 2,4,7-Trichloropyrido[2,3-d]pyrimidine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H2 Cl3 N3 |
| Molecular Weight: | 234.472 |
| Synonyms: | 2,4,7-trichloropyrido[2,3-d]pyrimidine |
| Density: | 1.686 g/cm3 |
| Boiling Point: | 316.4±42.0 °C(Predicted) |
| Hazard Symbols: | T |
| Risk Codes: | 25-41 |
| Safety: | 26-39-45 |
| PSA: | 38.67000 |
| LogP: | 2.98500 |
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Specification
The 2,4,7-Trichloropyrido[2,3-d]pyrimidine with cas registry number of 938443-20-0, is also called Pyrido[2,3-d]pyrimidine, 2,4,7-trichloro- .
Physical properties of 2,4,7-Trichloropyrido[2,3-d]pyrimidine :(1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 38.67 Å2; (9)Index of Refraction: 1.688; (10)Molar Refractivity: 53.05 cm3; (11)Molar Volume: 139 cm3; (12)Polarizability: 21.03×10-24cm3; (13)Surface Tension: 69.2 dyne/cm.
You can still convert the following datas into molecular structure: (1)SMILES:Clc2nc(Cl)nc1nc(Cl)ccc12; (2)InChI:InChI=1/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H; (3)InChIKey:DNFDLCRLLQVUQK-UHFFFAOYAE; (4)Std. InChI:InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H; (5)Std. InChIKey:DNFDLCRLLQVUQK-UHFFFAOYSA-N.