Name: 1H-Benzimidazole-5-carboxylicacid,ethylester(9CI)
SKU: 58842-61-8

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Basic Information

Molecular Structure:
CAS No.:	58842-61-8
Name:	1H-Benzimidazole-5-carboxylicacid,ethylester(9CI)
Article Data:	16

Formula:	C₁₀H₁₀N₂O₂
Molecular Weight:	190.20
Synonyms:	ethyl 1H-benzimidazole-5-carboxylate;ethyl 1H-benzimidazole-5-carboxylate (IM OCS);
Density:	1.272 g/cm³
Boiling Point:	417.554 °C at 760 mmHg
Flash Point:	206.33 °C
PSA:	54.98000
LogP:	1.73960

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Specification

This chemical is called 1H-Benzimidazole-5-carboxylic acid ethyl ester, and its systematic name is Ethyl 1H-benzimidazole-5-carboxylate. With the molecular formula of C₁₀H₁₀N₂O₂, its molecular weight is 190.20. The CAS registry number of this chemical is 58842-61-8. Additionally, its product categories are Benzimidazole; Pharmacetical.

Other characteristics of the 1H-Benzimidazole-5-carboxylic acid ethyl ester can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 73; (8)ACD/KOC (pH 7.4): 248; (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: 1.628; (14)Molar Refractivity: 53.026 cm³; (15)Molar Volume: 149.495 cm³; (16)Polarizability: 21.021×10^-24cm³; (17)Surface Tension: 56.296 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 206.33 °C; (20)Enthalpy of Vaporization: 67.096 kJ/mol; (21)Boiling Point: 417.554 °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)c1cc2ncnc2cc1
2.InChI: InChI=1/C10H10N2O2/c1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
3.InChIKey: HUOIDCCHUGUZQS-UHFFFAOYAN