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) |
|---|
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.