| CAS Number | 219583-70-7 |
| Catalog Number | AG00BIH3(AGN-PC-0WOHGG) |
| Chemical Name | 1-(4-Methoxybenzene)sulfonyl-2,5-dihydropyrrole |
| IUPAC Name | 1-(4-methoxyphenyl)sulfonyl-2,5-dihydropyrrole |
| InChI | InChI=1S/C11H13NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3 |
| InChI Key | CJPHBBKGTWCFEP-UHFFFAOYSA-N |
| MDL Number | MFCD21609666 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | COc1ccc(cc1)S(=O)(=O)N1CC=CC1 |
| Synonyms | 1-(4-METHOXYBENZENE)SULFONYL-2,5-DIHYDROPYRROLE,
219583-70-7,
KM4021,
MFCD21609666,
ZINC95495713,
AKOS026673615,
1-(4-Methoxyphenylsulfonyl)-3-pyrroline,
V4414,
C11H13NO3S,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number