CAS No.40197-20-4,5-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40197-20-4
Name:	5-BROMO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID
Article Data:	3

Formula:	C₈H₅BrN₂O₂
Molecular Weight:	241.044
Synonyms:	1H-Benzimidazole-2-carboxylicacid, 5-bromo- (9CI);2-Benzimidazolecarboxylic acid, 5(or 6)-bromo- (6CI);
Density:	1.947 g/cm³
Melting Point:	206oC
Boiling Point:	494.631 °C at 760 mmHg
Flash Point:	252.944 °C
PSA:	65.98000
LogP:	2.02360

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Specification

The CAS register number of 1H-Benzimidazole-2-carboxylicacid, 6-bromo- is 40197-20-4. It also can be called as 6-Bromo-1H-benzoimidazole-2-carboxylic acid and the systematic name about this chemical is 5-bromo-1H-benzimidazole-2-carboxylic acid. The molecular formula about this chemical is C₈H₅BrN₂O₂ and the molecular weight is 241.04. It belongs to the following product categories which include Benzoimidazole; Building Blocks and so on.

Physical properties about 1H-Benzimidazole-2-carboxylicacid, 6-bromo- are: (1)ACD/LogP: 1.88; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.125; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 65.98Å²; (10)Index of Refraction: 1.766; (11)Molar Refractivity: 51.24 cm³; (12)Molar Volume: 123.81 cm³; (13)Polarizability: 20.313x10^-24cm³; (14)Surface Tension: 86.41 dyne/cm; (15)Flash Point: 252.944 °C; (16)Enthalpy of Vaporization: 80.252 kJ/mol; (17)Boiling Point: 494.631 °C at 760 mmHg .

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)nc([nH]2)C(=O)O
(2)InChI: InChI=1/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: ULTDLMITPWHISY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: ULTDLMITPWHISY-UHFFFAOYSA-N