CAS No.122531-09-3,5-bromo-6-chloro-indole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122531-09-3
Name:	5-bromo-6-chloro-indole
Article Data:	2

Formula:	C₈H₅BrClN
Molecular Weight:	230.491
Synonyms:	5-Bromo-6-chloro-1H-indole;
Density:	1.773 g/cm³
Boiling Point:	357.991 °C at 760 mmHg
Flash Point:	170.307 °C
PSA:	15.79000
LogP:	3.58380

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Specification

The CAS registry number of 122531-09-3 is called 5-Bromo-6-chloro indole. The IUPAC name is 5-bromo-6-chloro-1H-indole. In addition, the formula is C₈H₅BrClN and the molecular weight is 230.489. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.656; (4)ACD/LogD (pH 7.4): 3.656; (5)ACD/BCF (pH 5.5): 353.568; (6)ACD/BCF (pH 7.4): 353.568; (7)ACD/KOC (pH 5.5): 2321.675; (8)ACD/KOC (pH 7.4): 2321.675; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 51.114 cm³; (15)Molar Volume: 130.007 cm³; (16)Polarizability: 20.263 ×10^-24cm³; (17)Surface Tension: 56.908 dyne/cm; (18)Density: 1.773 g/cm³; (19)Flash Point: 170.307 °C; (20)Enthalpy of Vaporization: 57.964 kJ/mol; (21)Boiling Point: 357.991 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1cc(c(c2)Cl)Br
(2)InChI: InChI=1/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
(3)InChIKey: SMZUROGBNBCCPT-UHFFFAOYAO