CAS No.1000340-33-9,3,4-Dibromo-7-azaindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1000340-33-9
Name:	3,4-Dibromo-7-azaindole
Article Data:	2

Formula:	C₇H₄Br₂N₂
Molecular Weight:	275.93
Synonyms:	1H-pyrrolo[2,3-b]pyridine, 3, 4-dibromo-;
Density:	2.165 g/cm³
Boiling Point:	393.276 °C at 760 mmHg
Flash Point:	191.647 °C
PSA:	28.68000
LogP:	3.08790

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Specification

The 3, 4-Dibromo-7-azaindole, with the CAS registry number 1000340-33-9, is also known as 1H-pyrrolo[2,3-b]pyridine, 3, 4-dibromo-. This chemical's molecular formula is C₇H₄Br₂N₂ and molecular weight is 275.9281. What's more, its systematic name is 3, 4-Dibromo-1H-pyrrolo[2, 3-b]pyridine.

Physical properties about 3, 4-Dibromo-7-azaindole are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.566; (4)ACD/LogD (pH 7.4): 3.572; (5)ACD/BCF (pH 5.5): 301.295; (6)ACD/BCF (pH 7.4): 305.085; (7)ACD/KOC (pH 5.5): 2062.952; (8)ACD/KOC (pH 7.4): 2088.902; (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: 127.465 cm³; (16)Polarizability: 20.614×10^-24 cm³; (17)Surface Tension: 67.866 dyne/cm; (18)Density: 2.165 g/cm³; (19)Flash Point: 191.647 °C; (20)Enthalpy of Vaporization: 61.803 kJ/mol; (21)Boiling Point: 393.276 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc2c(c1Br)c(c[nH]2)Br
(2) InChI: InChI=1/C7H4Br2N2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
(3) InChIKey: AAHGADLNTUOUFU-UHFFFAOYAV