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1H-Benzimidazole-7-carboxylicacid, 2-ethoxy-, methyl ester (150058-27-8)

Identification
Name:1H-Benzimidazole-7-carboxylicacid, 2-ethoxy-, methyl ester
Synonyms:1H-Benzimidazole-4-carboxylicacid, 2-ethoxy-, methyl ester (9CI);2-Ethoxy-3H-benzimidazole-4-carboxylicacid methyl ester;Methy1-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;
CAS:150058-27-8
Molecular Formula: C11H12N2O3
Molecular Weight: 220.22
InChI: InChI=1/C11H12N2O3/c1-3-16-11-12-8-6-4-5-7(9(8)13-11)10(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
Molecular Structure: (C11H12N2O3) 1H-Benzimidazole-4-carboxylicacid, 2-ethoxy-, methyl ester (9CI);2-Ethoxy-3H-benzimidazole-4-carboxy...
Properties
Density:1.269
Refractive index:1.604
Specification:

The Methyl 2-ethoxybenzimidazole-7-carboxylate is an organic compound with the formula C11H12N2O3. With the CAS registry number 150058-27-8, the IUPAC name of this chemical is methyl 2-ethoxy-3H-benzimidazole-4-carboxylate.

Physical properties about Methyl 2-ethoxybenzimidazole-7-carboxylate are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): 2.243; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 28.392; (5)ACD/BCF (pH 7.4): 31.64; (6)ACD/KOC (pH 5.5): 360.361; (7)ACD/KOC (pH 7.4): 401.593; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.21 Å2; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 59.704 cm3; (14)Molar Volume: 173.497 cm3; (15)Polarizability: 23.669×10-24cm3; (16)Surface Tension: 52.117 dyne/cm; (17)Density: 1.269 g/cm3; (18)Flash Point: 179.462 °C; (19)Enthalpy of Vaporization: 62.036 kJ/mol; (20)Boiling Point: 373.128 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1[nH]c2c(cccc2n1)C(=O)OC
(2)InChI: InChI=1/C11H12N2O3/c1-3-16-11-12-8-6-4-5-7(9(8)13-11)10(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
(3)InChIKey: MOPLKVMMSFGZIR-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H12N2O3/c1-3-16-11-12-8-6-4-5-7(9(8)13-11)10(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
(5)Std. InChIKey: MOPLKVMMSFGZIR-UHFFFAOYSA-N

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