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6-Bromo-2-methyl-2H-indazole-3-carboxylic acid

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Name

6-Bromo-2-methyl-2H-indazole-3-carboxylic acid

EINECS N/A
CAS No. 1021859-33-5 Density 1.79 g/cm3
PSA 55.12000 LogP 2.03400
Solubility N/A Melting Point N/A
Formula C9H7BrN2O2 Boiling Point 468.421 °C at 760 mmHg
Molecular Weight 255.07 Flash Point 237.093 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1021859-33-5 (6-Bromo-2-methyl-2H-indazole-3-carboxylic acid) Hazard Symbols N/A
Synonyms

6-Bromo-2-methyl-indazole-3-carboxylic acid;

 

6-Bromo-2-methyl-2H-indazole-3-carboxylic acid 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

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