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115687-05-3

115687-05-3 structural image
Product Name: CPNQ
Formula: C20H17ClN4O3
Synonyms: 5-[4-(4-Chlorobenzoyl)-1-piperazinyl]-8-nitroquinoline;B2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 396.8 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 396.0989181 g/mol
Monoisotopic Mass 396.0989181 g/mol
Topological Polar Surface Area 82.3 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 570
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanone is a N-arylpiperazine.