| CAS Number | 69812-32-4 |
| Catalog Number | AG019T6F(AGN-PC-0714U5) |
| Chemical Name | Methyl 4-(chlorosulfonyl)-1-methyl-1h-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate |
| InChI | InChI=1S/C7H8ClNO4S/c1-9-4-5(14(8,11)12)3-6(9)7(10)13-2/h3-4H,1-2H3 |
| InChI Key | BTSURNRVAKJLGT-UHFFFAOYSA-N |
| MDL Number | MFCD14281198 |
| Molecular Formula | C7H8ClNO4S |
| Molecular Weight | 237.6607 |
| SMILES | O=C(C1=CC(S(=O)(Cl)=O)=CN1C)OC |
| Synonyms | methyl 4-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate,
69812-32-4,
MLS004820228,
SCHEMBL14371223,
BTSURNRVAKJLGT-UHFFFAOYSA-N,
MFCD14281198,
AKOS004911787,
ZINC100061376,
NE37737,
AS-43575,
SMR003523798,
Methyl 4-chlorosulfonyl-1-methyl-pyrrole-2-carboxylate,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.654g/mol |
| Monoisotopic Mass | 236.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number