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| CAS No.: | 141998-77-8 |
|---|---|
| Name: | Ethyl 5-iodo-1H-pyrazole-3-carboxylate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H7IN2O2 |
| Molecular Weight: | 266.038 |
| Synonyms: | pyridin-2-ylamino |
| Density: | 1.936 g/cm3 |
| Boiling Point: | 377.606 °C at 760 mmHg |
| Flash Point: | 182.17 °C |
| Appearance: | white crystalline power |
| PSA: | 54.98000 |
| LogP: | 1.19100 |
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- Total:26 Page 1 of 1 1
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Specification
The Ethyl 5-iodo-1H-pyrazole-3-carboxylate has CAS registry number 141998-77-8. This chemical's molecular formula is C6H7IN2O2 and molecular weight is 266.03645. What's more, its systematic name is Ethyl 5-iodo-1H-pyrazole-3-carboxylate.
Physical properties about Ethyl 5-iodo-1H-pyrazole-3-carboxylate are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.787; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 77.249; (6)ACD/BCF (pH 7.4): 67.713; (7)ACD/KOC (pH 5.5): 781.167; (8)ACD/KOC (pH 7.4): 684.731; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.98 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 48.09 cm3; (15)Molar Volume: 137.452 cm3; (16)Polarizability: 19.064×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.936 g/cm3; (19)Flash Point: 182.17 °C; (20)Enthalpy of Vaporization: 62.539 kJ/mol; (21)Boiling Point: 377.606 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc([nH]n1)I
(2) InChI: InChI=1/C6H7IN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
(3) InChIKey: PKGRSCADNBDVRY-UHFFFAOYAR