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36945-98-9

36945-98-9 structural image
Product Name: ICILIN
Formula: C16H13N3O4
Synonyms: 1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetra-hydro-pyrimidin-2-one;AG-3-5
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 45.2 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H332:Acute toxicity,inhalation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 311.29 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 311.09060590 g/mol
Monoisotopic Mass 311.09060590 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 502
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

3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one is a C-nitro compound.