Name: 5-BROMO-6-CHLORO-3-INDOXYL-BETA-D-GLUCOPYRANOSIDE
SKU: 93863-89-9

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Basic Information

Molecular Structure:
CAS No.:	93863-89-9
Name:	5-BROMO-6-CHLORO-3-INDOXYL-BETA-D-GLUCOPYRANOSIDE

Formula:	C₁₄H₁₅BrClNO₆
Molecular Weight:	408.633
Synonyms:	Indole,5-bromo-6-chloro-3-(b-D-glucopyranosyloxy)- (7CI);Magenta glucoside;
EINECS:	1533716-785-6
Density:	1.882 g/cm³
Boiling Point:	673.9 °C at 760 mmHg
Flash Point:	361.3 °C
Safety:	22-24/25
PSA:	115.17000
LogP:	0.76250

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Specification

The b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl, with the CAS registry number 93863-89-9, is also known as 5-Bromo-6-chloro-3-indolyl-b-D-glucopyranoside. This chemical's molecular formula is C₁₄H₁₅BrClNO₆ and molecular weight is 408.63. Its systematic name is called 5-bromo-6-chloro-1H-indol-3-yl hexopyranoside. When you are using this chemical, please be cautious about it. You should not breathe dust. What's more, you must avoid contact with skin and eyes.

Physical properties of b-D-Glucopyranoside,5-bromo-6-chloro-1H-indol-3-yl: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 51.62; (8)ACD/KOC (pH 7.4): 51.62; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.731; (13)Molar Refractivity: 86.82 cm³; (14)Molar Volume: 217 cm³; (15)Surface Tension: 78.8 dyne/cm; (16)Density: 1.882 g/cm³; (17)Flash Point: 361.3 °C; (18)Enthalpy of Vaporization: 103.96 kJ/mol; (19)Boiling Point: 673.9 °C at 760 mmHg; (20)Vapour Pressure: 4.44E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)cc3Br
(2)InChI: InChI=1/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2
(3)InChIKey: CHRVKCMQIZYLNM-UHFFFAOYAV