Name: 5,7-Dibromo-1H-indazole
SKU: 50477-28-6

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Basic Information

Molecular Structure:
CAS No.:	50477-28-6
Name:	5,7-Dibromo-1H-indazole
Article Data:	4

Formula:	C₇H₄Br₂N₂
Molecular Weight:	275.93
Synonyms:	1H-indazole, 5,7-dibromo-;
Density:	2.165 g/cm³
Melting Point:	197-198 °C
Boiling Point:	384.6 °C at 760 mmHg
Flash Point:	186.4 °C
PSA:	28.68000
LogP:	3.08790

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Specification

The 5,7-Dibromo-1H-indazole, with cas registry number 50477-28-6, has the systematic name of 5,7-dibromo-1H-indazole. And its IUPAC name is the same one. Besides this, it is also called 1H-indazole, 5,7-dibromo-.

Physical properties about this chemical are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 195.33; (6)ACD/BCF (pH 7.4): 195.19; (7)ACD/KOC (pH 5.5): 1518.21; (8)ACD/KOC (pH 7.4): 1517.18; (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: 1.751; (14)Molar Refractivity: 52 cm³; (15)Molar Volume: 127.4 cm³; (16)Polarizability: 20.61×10^-24cm³; (17)Surface Tension: 67.8 dyne/cm; (18)Enthalpy of Vaporization: 60.86 kJ/mol; (19)Vapour Pressure: 8.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2cnnc2c(Br)c1
(2)InChI: InChI=1/C7H4Br2N2/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H,(H,10,11)
(3)InChIKey: SBDPXXDRYPLLKE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H4Br2N2/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H,(H,10,11)
(5)Std. InChIKey: SBDPXXDRYPLLKE-UHFFFAOYSA-N