| CAS Number | 170100-69-3 |
| Catalog Number | AG00HZDB(AGN-PC-0WAZE2) |
| Chemical Name | 1-tert-Butyl 2-methyl 4-iodo-1H-pyrrole-1,2-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl 4-iodopyrrole-1,2-dicarboxylate |
| InChI | InChI=1S/C11H14INO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h5-6H,1-4H3 |
| InChI Key | XDKZDUOPFMNJSD-UHFFFAOYSA-N |
| MDL Number | MFCD22375451 |
| Molecular Formula | C11H14INO4 |
| Molecular Weight | 351.1376 |
| SMILES | IC1(=CN(C(=O)OC(C)(C)C)C(=C1)C(=O)OC) |
| Synonyms | 1-tert-butyl 2-methyl 4-iodo-1H-pyrrole-1,2-dicarboxylate,
170100-69-3,
SCHEMBL7715247,
XDKZDUOPFMNJSD-UHFFFAOYSA-N,
KS-000024WS,
ZX-RL003283,
MFCD22375451,
ZINC72481742,
AKOS015991394,
EG-0723,
FCH2877299,
MCULE-9446643985,
OR310028,
FT-0731307,
1-tert-butyl 2-methyl 4-iodopyrrole-1,2-dicarboxylate,
methyl n-tert-butoxycarbonyl-4-iodo-2-pyrrolecarboxylate,
4-iodo-1H-Pyrrole-1,2-dicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.14g/mol |
| Monoisotopic Mass | 350.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number