| CAS Number | 1380500-94-6 |
| Catalog Number | AG00NH9T(AGN-PC-3H457J) |
| Chemical Name | tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate |
| IUPAC Name | tert-butyl 2-cyanopyrrole-1-carboxylate |
| InChI | InChI=1S/C10H12N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h4-6H,1-3H3 |
| InChI Key | GDHNTBXGTBFNIC-UHFFFAOYSA-N |
| MDL Number | MFCD28166176 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | N1(C(OC(C)(C)C)=O)C=CC=C1C#N |
| Synonyms | tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate,
1380500-94-6,
1-N-Boc-2-cyanopyrrole,
SCHEMBL16678680,
GDHNTBXGTBFNIC-UHFFFAOYSA-N,
AKOS027440136,
ZINC219035941,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number