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CAS No.: | 402944-81-4 |
---|---|
Name: | 3-(1H-BENZOIMIDAZOL-2-YL)-BENZOIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H10N2O2 |
Molecular Weight: | 238.246 |
Synonyms: | 3-(1H-BENZOIMIDAZOL-2-YL)-BENZOIC ACID;3-(1H-Benzimidazol-2-yl)benzoic acid;3-(1H-benzo[d]iMidazol-2-yl)benzoic acid;2-(3-Carboxyphenyl)-1H-benzimidazole |
Density: | 1.377g/cm3 |
Boiling Point: | 530.4 °C at 760 mmHg |
Flash Point: | 274.6 °C |
Hazard Symbols: | Xi |
PSA: | 65.98000 |
LogP: | 2.92810 |
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The Benzoic acid,3-(1H-benzimidazol-2-yl)-, also known as ZINC00196419, is a organic compound with the formula C14H10N2O2. With the CAS registry number 402944-81-4, its IUPAC name is called 3-(1H-benzimidazol-2-yl)benzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,3-(1H-benzimidazol-2-yl)-: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 2.21; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.23; (7)ACD/KOC (pH 7.4): 1.6; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.717; (12)Molar Refractivity: 68.14 cm3; (13)Molar Volume: 172.9 cm3; (14)Surface Tension: 70.1 dyne/cm; (15)Density: 1.377 g/cm3; (16)Flash Point: 274.6 °C; (17)Enthalpy of Vaporization: 84.8 kJ/mol; (18)Boiling Point: 530.4 °C at 760 mmHg; (19)Vapour Pressure: 4.44E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)C(=O)[O-]
(2)InChI: InChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)/p-1
(3)InChIKey: BQKXFNQLZLSSEP-UHFFFAOYSA-M