| CAS Number | 1265166-14-0 |
| Catalog Number | AG01EORI(AGN-PC-3H46I5) |
| Chemical Name | Antifungal agent 1 |
| IUPAC Name | 3-(4-chloroanilino)-6-hydroxy-9-methylcarbazole-1,4-dione |
| InChI | InChI=1S/C19H13ClN2O3/c1-22-15-7-6-12(23)8-13(15)17-18(22)16(24)9-14(19(17)25)21-11-4-2-10(20)3-5-11/h2-9,21,23H,1H3 |
| InChI Key | QUAFTMJUVQDZHE-UHFFFAOYSA-N |
| MDL Number | MFCD31544345 |
| Molecular Formula | C19H13ClN2O3 |
| Molecular Weight | 352.7711 |
| SMILES | N1(C)C2=C(C=C(O)C=C2)C2=C1C(=O)C=C(NC1=CC=C(Cl)C=C1)C2=O |
| Synonyms | Antifungal agent 1,
1265166-14-0,
CS-7639,
HY-102025,
|
| Complexity | 600 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.774g/mol |
| Monoisotopic Mass | 352.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number