CAS No.167487-83-4,1H-Benzimidazole-4-carboxylicacid,ethylester(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	167487-83-4
Name:	1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)
Article Data:	2

Formula:	C₁₀H₁₀N₂O₂
Molecular Weight:	190.202
Synonyms:	1H-Benzimidazole-4-carboxylicacid, ethyl ester (9CI);
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

The Ethyl 4-benzimidazolecarboxylate, with the CAS registry number 167487-83-4, is also known as 1H-Benzimidazole-7-carboxylicacid, ethyl ester. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₁₀H₁₀N₂O₂ and molecular weight is 190.20. What's more, its systematic name is Ethyl 1H-benzimidazole-4-carboxylate.

Physical properties of Ethyl 4-benzimidazolecarboxylate are: (1)ACD/LogP: 1.894; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 14.73; (6)ACD/BCF (pH 7.4): 16.15; (7)ACD/KOC (pH 5.5): 232.38; (8)ACD/KOC (pH 7.4): 254.69; (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: 1.627; (14)Molar Refractivity: 53.026 cm³; (15)Molar Volume: 149.495 cm³; (16)Polarizability: 21.021×10^-24cm³; (17)Surface Tension: 56.3 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)c1cccc2ncnc12
(2)Std. InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)7-4-3-5-8-9(7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
(3)Std. InChIKey: BIROFVBTDWNLKU-UHFFFAOYSA-N