CAS No.590418-08-9,1-Methylindazol-5-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	590418-08-9
Name:	1-Methylindazol-5-boronic acid
Article Data:	1

Formula:	C₈H₉BN₂O₂
Molecular Weight:	175.983
Synonyms:	(1-Methylindazol-5-yl)boronic acid;
Density:	1.271 g/cm³
Boiling Point:	397.472 °C at 760 mmHg
Flash Point:	194.184 °C
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
PSA:	58.28000
LogP:	-0.74690

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Specification

The 1-Methylindazol-5-boronic acid, with the CAS registry number of 590418-08-9, is also known as (1-Methyl-1H-indazol-5-yl)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 IUPAC name is (1-Methylindazol-5-yl)boronic acid.

Physical properties about 1-Methylindazol-5-boronic acid are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.28 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 47.676 cm³; (15)Molar Volume: 138.461 cm³; (16)Surface Tension: 47.629 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 194.184 °C; (19)Enthalpy of Vaporization: 68.329 kJ/mol; (20)Boiling Point: 397.472 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cc2cnn(C)c2cc1
(2) InChI: InChI=1/C8H9BN2O2/c1-11-8-3-2-7(9(12)13)4-6(8)5-10-11/h2-5,12-13H,1H3
(3) InChIKey: FPZFXDGMBDJLHR-UHFFFAOYAD