| CAS Number | 123892-38-6 |
| Catalog Number | AG000L6Z(AGN-PC-0L6V1G) |
| Chemical Name | 1H-Pyrrole-2-carboxaldehyde, 1-(methylsulfonyl)- |
| IUPAC Name | 1-methylsulfonylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C6H7NO3S/c1-11(9,10)7-4-2-3-6(7)5-8/h2-5H,1H3 |
| InChI Key | NHOBBIVFUQBEMI-UHFFFAOYSA-N |
| MDL Number | MFCD03931540 |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.1897 |
| SMILES | CS(=O)(=O)N1C(=CC=C1)C=O |
| Synonyms | 1-methanesulfonyl-1H-pyrrole-2-carbaldehyde,
123892-38-6,
1H-Pyrrole-2-carboxaldehyde, 1-(methylsulfonyl)-,
1-(methylsulfonyl)-1H-pyrrole-2-carbaldehyde,
1-methylsulfonylpyrrole-2-carbaldehyde,
ACMC-20mqtx,
AC1N4ZH9,
SCHEMBL2460281,
CTK0F7282,
DTXSID70400497,
NHOBBIVFUQBEMI-UHFFFAOYSA-N,
ZINC2519477,
AKOS006230542,
MCULE-1056918944,
NE59116,
RP23550,
1-Methylsulfonyl-1H-pyrrole-2-carbaldehyde,
CID4187039,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.186g/mol |
| Monoisotopic Mass | 173.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number