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1021859-33-5

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Basic Information
CAS No.: 1021859-33-5
Name: 6-Bromo-2-methyl-2H-indazole-3-carboxylic acid
Molecular Structure:
Molecular Structure of 1021859-33-5 (6-Bromo-2-methyl-2H-indazole-3-carboxylic acid)
Formula: C9H7BrN2O2
Molecular Weight: 255.07
Synonyms: 6-Bromo-2-methyl-indazole-3-carboxylic acid;
Density: 1.79 g/cm3
Boiling Point: 468.421 °C at 760 mmHg
Flash Point: 237.093 °C
PSA: 55.12000
LogP: 2.03400
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Specification

The CAS registry number of 6-Bromo-2-methyl-2H-indazole-3-carboxylic acid is 1021859-33-5. In addition, its molecular formula is C9H7BrN2O2 and molecular weight is 255.07.  Its systematic name is called 6-Bromo-2-methyl-indazole-3-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.317; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.28; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.701; (12)Molar Refractivity: 55.007 cm3; (13)Molar Volume: 142.2 cm3; (14)Surface Tension: 58.632 dyne/cm; (15)Density: 1.794 g/cm3; (16)Flash Point: 237.093 °C; (17)Enthalpy of Vaporization: 76.971 kJ/mol; (18)Boiling Point: 468.421 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c(c2ccc(cc2n1)Br)C(=O)O
(2)InChI: InChI=1/C9H7BrN2O2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11-12/h2-4H,1H3,(H,13,14)
(3)InChIKey: QNIIYXJKTORVOF-UHFFFAOYAS