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| CAS No.: | 16082-27-2 |
|---|---|
| Name: | 7-CHLORO-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C7H6ClN3 |
| Molecular Weight: | 167.598 |
| Synonyms: | 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine; |
| Density: | 1.436g/cm3 |
| Melting Point: | 36 °C |
| PSA: | 30.19000 |
| LogP: | 1.69110 |
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- Total:29 Page 1 of 1 1
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Specification
The 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine, with CAS registry number 16082-27-2, belongs to the following product categories: (1)Heterocycles series; (2)Halides; (3)Fused Ring Systems. Its systematic name and its IUPAC name are the same one, which is 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine.
Physical properties about this chemical are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 641; (8)ACD/KOC (pH 7.4): 641; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 44.183 cm3; (15)Molar Volume: 116.746 cm3; (16)Polarizability: 17.515×10-24cm3; (17)Surface Tension: 49.711 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(n2c(n1)ccn2)Cl
(2)InChI: InChI=1/C7H6ClN3/c1-5-4-6(8)11-7(10-5)2-3-9-11/h2-4H,1H3
(3)InChIKey: BJXJEUOXFCAJLA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H6ClN3/c1-5-4-6(8)11-7(10-5)2-3-9-11/h2-4H,1H3
(5)Std. InChIKey: BJXJEUOXFCAJLA-UHFFFAOYSA-N