| CAS Number | 101001-59-6 |
| Catalog Number | AG009Q29(AGN-PC-00N6ZE) |
| Chemical Name | 1-Ethyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 1-ethylpyrrole-2-carbonitrile |
| InChI | InChI=1S/C7H8N2/c1-2-9-5-3-4-7(9)6-8/h3-5H,2H2,1H3 |
| InChI Key | ZFGBIFTUNFGCQT-UHFFFAOYSA-N |
| MDL Number | MFCD12923637 |
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.1518 |
| SMILES | N1(CC)C=CC=C1C#N |
| Synonyms | 1-Ethyl-1H-pyrrole-2-carbonitrile,
101001-59-6,
1-ethylpyrrole-2-carbonitrile,
1H-Pyrrole-2-carbonitrile, 1-ethyl-,
SCHEMBL10244876,
ZFGBIFTUNFGCQT-UHFFFAOYSA-N,
MFCD12923637,
ZINC34100583,
AKOS005138259,
AJ-86945,
1H-Pyrrole-2-carbonitrile,1-ethyl-(9CI),
Y-7313,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.155g/mol |
| Monoisotopic Mass | 120.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number