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4264-82-8

4264-82-8 structural image
Product Name: 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide
Formula: C16H18BrClN2O6
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 449.7 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 448.00368 g/mol
Monoisotopic Mass 448.00368 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 517
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-bromo-4-chloro-3-indolyl N-acetyl-beta-D-glucosaminide is an indolyl carbohydrate that is the N-acetyl-beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has a role as a chromogenic compound. It is an indolyl carbohydrate, a N-acetyl-beta-D-glucosaminide, a bromoindole and a chloroindole. It is functionally related to an indoxyl.