Pubchem ID | 17398058 |
---|---|
CAS | 8000-44-0 |
IUPAC name | (4-cyano-2-methoxyphenyl) 4-bromo-2-fluorobenzoate |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | COC1=C(C=CC(=C1)C#N)OC(=O)C2=C(C=C(C=C2)Br)F |
InCheykey | InChI=1S/C15H9BrFNO3/c1-20-14-6-9(8-18)2-5-13(14)21-15(19)11-4-3-10(16)7-12(11)17/h2-7H,1H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
350.143 | 0 | 5 | 4 | 59.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |