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| CAS No.: | 1865-09-4 |
|---|---|
| Name: | 1H-Benzoimidazole-2-carboxylic acid ethyl ester |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H10N2O2 |
| Molecular Weight: | 190.202 |
| Synonyms: | 2-Benzimidazolecarboxylicacid, ethyl ester (7CI,8CI);Ethyl 1H-benzimidazole-2-carboxylate;Ethyl2-benzimidazolecarboxylate; |
| Density: | 1.272 g/cm3 |
| Melting Point: | 212.7-213.7 °C |
| Boiling Point: | 350.016 °C at 760 mmHg |
| Flash Point: | 165.484 °C |
| PSA: | 54.98000 |
| LogP: | 1.73960 |
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Specification
The 1H-Benzimidazole-2-carboxylicacid, ethyl ester, with the CAS registry number 1865-09-4, is also known as Benzimidazole-2-carboxylic acid ethyl ester. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.1986. Its IUPAC name is called ethyl 1H-benzimidazole-2-carboxylate.
Physical properties of 1H-Benzimidazole-2-carboxylicacid, ethyl ester: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 26; (5)ACD/BCF (pH 7.4): 26; (6)ACD/KOC (pH 5.5): 354; (7)ACD/KOC (pH 7.4): 362; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 53.026 cm3; (13)Molar Volume: 149.495 cm3; (14)Surface Tension: 56.296 dyne/cm; (15)Density: 1.272 g/cm3; (16)Flash Point: 165.484 °C; (17)Enthalpy of Vaporization: 59.457 kJ/mol; (18)Boiling Point: 350.016 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NC2=CC=CC=C2N1
(2)InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,11,12)
(3)InChIKey: NMYSVCYIPOCLEC-UHFFFAOYSA-N