| CAS Number | 1418131-46-0 |
| Catalog Number | AG009E22(AGN-PC-0WNXIL) |
| Chemical Name | RSC 133 |
| IUPAC Name | 3-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzamide |
| InChI | InChI=1S/C18H15N3O2/c19-18(23)12-4-3-5-14(10-12)21-17(22)9-8-13-11-20-16-7-2-1-6-15(13)16/h1-11,20H,(H2,19,23)(H,21,22)/b9-8+ |
| InChI Key | HYUDSQGICKAEGE-CMDGGOBGSA-N |
| MDL Number | MFCD28160784 |
| Molecular Formula | C18H15N3O2 |
| Molecular Weight | 305.3306 |
| SMILES | O=C(NC1=CC=CC(C(N)=O)=C1)/C=C/C2=CNC3=C2C=CC=C3 |
| Synonyms | RSC133,
rsc133,
RSC 133,
RSC-133,
1418131-46-0,
1064711-57-4,
HYUDSQGICKAEGE-CMDGGOBGSA-N,
SCHEMBL2085437,
ZINC96032828,
RSC133, >=98% (HPLC),
EC-000.2551,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 305.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.337g/mol |
| Monoisotopic Mass | 305.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number