| CAS Number | 1000932-01-3 |
| Catalog Number | AG019LD0(AGN-PC-0WO6VN) |
| Chemical Name | 4-(chlorosulfonyl)-1-methyl-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-chlorosulfonyl-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C6H6ClNO4S/c1-8-3-4(13(7,11)12)2-5(8)6(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | POMZQIUIOJIHIN-UHFFFAOYSA-N |
| MDL Number | MFCD09863423 |
| Molecular Formula | C6H6ClNO4S |
| Molecular Weight | 223.6341 |
| SMILES | CN1C(C(O)=O)=CC(S(Cl)(=O)=O)=C1 |
| Synonyms | 4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid,
1000932-01-3,
AC1Q3YS1,
SCHEMBL16236979,
CTK7I6917,
POMZQIUIOJIHIN-UHFFFAOYSA-N,
MFCD09863423,
ZINC59145529,
AKOS009162701,
MCULE-2304750701,
NE30544,
AS-43576,
EN300-30825,
4-chlorosulfonyl-1-methyl-pyrrole-2-carboxylic acid,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.627g/mol |
| Monoisotopic Mass | 222.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number