CAS No.1001907-59-0,1-METHYLINDAZOL-7-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1001907-59-0
Name:	1-METHYLINDAZOL-7-BORONIC ACID

Formula:	C₈H₉BN₂O₂
Molecular Weight:	175.9803
Synonyms:	1-Methylindazole-7-boronic acid;
Density:	1.27 g/cm³
Boiling Point:	397.5 °C at 760 mmHg
Flash Point:	194.2 °C
PSA:	58.28000
LogP:	-0.74690

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Specification

The 1-Methyl-1H-indazol-7-boronic acid, with the CAS registry number 1001907-59-0, is also known as 1-Methylindazole-7-boronic acid. It belongs to the product categories of Indazole; Organoborons. This chemical's molecular formula is C₈H₉BN₂O₂ and molecular weight is 175.9803. What's more, its systematic name is called (1-Methylindazol-7-yl)boronic acid.

Physical properties about 1-Methyl-1H-indazol-7-boronic acid are: (1)ACD/LogP: 1.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.21; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 58.28 Å²; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 47.67 cm³; (11)Molar Volume: 138.4 cm³; (12)Polarizability: 18.9×10^-24cm³; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.27 g/cm³; (15)Flash Point: 194.2 °C; (16)Enthalpy of Vaporization: 68.33 kJ/mol; (17)Boiling Point: 397.5 °C at 760 mmHg; (18)Vapour Pressure: 4.96E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cccc2cnn(C)c12
(2) InChI: InChI=1/C8H9BN2O2/c1-11-8-6(5-10-11)3-2-4-7(8)9(12)13/h2-5,12-13H,1H3
(3) InChIKey: TWHUPAUNRIZSBL-UHFFFAOYAL