| CAS Number | 149878-40-0 |
| Catalog Number | AG00ASKK(AGN-PC-0Q3XLE) |
| Chemical Name | Bifenazate oxidation type |
| IUPAC Name | propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate |
| InChI | InChI=1S/C17H18N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12H,1-3H3 |
| InChI Key | AGTBLMHWQIEASU-UHFFFAOYSA-N |
| MDL Number | MFCD30725512 |
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.3364 |
| SMILES | COc1ccc(cc1/N=N/C(=O)OC(C)C)c1ccccc1 |
| Synonyms | 149878-40-0,
Bifenazate-diazene,
Bifenazate Impurity D,
SCHEMBL4942921,
AGTBLMHWQIEASU-UHFFFAOYSA-N,
D-3598,
propan-2-yl (NE)-N-(2-methoxy-5-phenylphenyl)iminocarbamate,
1-methylethyl (4-methoxy-[1,1'-biphenyl]-3-yl)diazenecarboxylate,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.342g/mol |
| Monoisotopic Mass | 298.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number