36945-98-9
Product Name:
ICILIN
Formula:
C16H13N3O4
Synonyms:
1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetra-hydro-pyrimidin-2-one;AG-3-5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 45.2 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.