CAS No.1000343-69-0,6-BROMO-5-METHYL (1H)INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1000343-69-0
Name:	6-BROMO-5-METHYL (1H)INDAZOLE
Article Data:	7

Formula:	C₈H₇BrN₂
Molecular Weight:	211.061
Synonyms:	6-Bromo-5-methyl-1H-indazole;
Density:	1.655 g/cm³
Boiling Point:	344.623 °C at 760 mmHg
Flash Point:	162.222 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	28.68000
LogP:	2.63380

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Specification

The 6-Bromo-5-methyl-1H-indazole, with the CAS registry number 1000343-69-0, is also known as 6-Bromo-5-methyl-1H-indazole. It belongs to the product categories of Classes of Building Blocks; Indazole. This chemical's molecular formula is C₈H₇BrN₂ and molecular weight is 211.06. What's more, its IUPAC name is 6-Bromo-5-methyl-1H-indazole.

Physical properties of 6-Bromo-5-methyl-1H-indazole are:(1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.393; (6)ACD/BCF (pH 7.4): 148.396; (7)ACD/KOC (pH 5.5): 1247.111; (8)ACD/KOC (pH 7.4): 1247.131; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 49.135 cm³; (15)Molar Volume: 127.555 cm³; (16)Polarizability: 19.479×10^-24cm³; (17)Surface Tension: 58.654 dyne/cm; (18)Density: 1.655 g/cm³; (19)Flash Point: 162.222 °C; (20)Enthalpy of Vaporization: 56.533 kJ/mol; (21)Boiling Point: 344.623 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2cn[nH]c2cc1Br
(2)Std. InChI: InChI=1S/C8H7BrN2/c1-5-2-6-4-10-11-8(6)3-7(5)9/h2-4H,1H3,(H,10,11)
(3)Std. InChIKey: YLLZDOJZLKUKEA-UHFFFAOYSA-N