| CAS Number | 1393442-27-7 |
| Catalog Number | AG009X6Z(AGN-PC-0WNWPS) |
| Chemical Name | 3-(4-Methylphenyl)carbonyl-1-tosylpyrrole |
| IUPAC Name | (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone |
| InChI | InChI=1S/C19H17NO3S/c1-14-3-7-16(8-4-14)19(21)17-11-12-20(13-17)24(22,23)18-9-5-15(2)6-10-18/h3-13H,1-2H3 |
| InChI Key | LBXUAWLWBIQOMB-UHFFFAOYSA-N |
| MDL Number | MFCD22383691 |
| Molecular Formula | C19H17NO3S |
| Molecular Weight | 339.4082 |
| SMILES | Cc1ccc(cc1)C(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C |
| Synonyms | 3-(4-Methylphenyl)carbonyl-1-tosylpyrrole,
1393442-27-7,
KM3809,
ZINC95495562,
p-tolyl(1-tosyl-1H-pyrrol-3-yl)methanone,
V2936,
1-[(4-METHYLBENZENE)SULFONYL]-3-[(4-METHYLPHENYL)CARBONYL]PYRROLE,
C19H17NO3S,
|
| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.409g/mol |
| Monoisotopic Mass | 339.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number