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372953-13-4

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Basic Information
CAS No.: 372953-13-4
Name: 5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID HCL
Molecular Structure:
Molecular Structure of 372953-13-4 (5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID HCL)
Formula: C8H8ClN3O2
Molecular Weight: 213.62
Synonyms: 1H-Benzimidazole-2-carboxylicacid, 5-amino- (9CI);5-Amino-1H-benzimidazole-2-carboxylic acid;
Density: 1.611 g/cm3
Boiling Point: 549 °C at 760 mmHg
Flash Point: 285.8 °C
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Specification

The 1H-Benzimidazole-2-carboxylicacid, 5-amino- has CAS registry number 372953-13-4. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C8H8ClN3O2 and molecular weight is 213.62. What's more, its systematic name is 5-amino-1H-benzimidazole-2-carboxylic acid. 

Physical properties of 1H-Benzimidazole-2-carboxylicacid, 5-amino- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 92 Å2; (6)Index of Refraction: 1.818; (7)Molar Refractivity: 47.78 cm3; (8)Molar Volume: 109.9 cm3; (9)Polarizability: 18.94×10-24cm3; (10)Surface Tension: 106.2 dyne/cm; (11)Density: 1.611 g/cm3; (12)Flash Point: 285.8 °C; (13)Enthalpy of Vaporization: 87.21 kJ/mol; (14)Boiling Point: 549 °C at 760 mmHg; (15)Vapour Pressure: 6.9E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N)nc([nH]2)C(=O)O
(2)InChI: InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3)InChIKey: JXXWTOCDJBQRHK-UHFFFAOYSA-N