| CAS Number | 67974-08-7 |
| Catalog Number | AG00FBEG(AGN-PC-0KKLO3) |
| Chemical Name | Tert-Butyl 1-Methyl-4-Nitro-1H-Pyrrole-2-Carboxylate |
| IUPAC Name | tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate |
| InChI | InChI=1S/C10H14N2O4/c1-10(2,3)16-9(13)8-5-7(12(14)15)6-11(8)4/h5-6H,1-4H3 |
| InChI Key | LUCCDDXLASSKID-UHFFFAOYSA-N |
| MDL Number | MFCD00631285 |
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.2292 |
| SMILES | N1(C(=CC([N+]([O-])=O)=C1)C(=O)OC(C)(C)C)C |
| Synonyms | tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate,
67974-08-7,
tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate,
AC1MBVJF,
SCHEMBL222848,
DTXSID00373822,
ZINC2566826,
AKOS013211021,
AC-30394,
AJ-41332,
AK-29756,
AX8012228,
DB-073947,
FT-0752277,
1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, 1,1-dimethylethyl ester,
ZINC02566826,
CID2757296,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.232g/mol |
| Monoisotopic Mass | 226.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number