| CAS Number | 35524-46-0 |
| Catalog Number | AG00J2HE(AGN-PC-00AHKJ) |
| Chemical Name | 1-Phenyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 1-phenylpyrrole-2-carbonitrile |
| InChI | InChI=1S/C11H8N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-8H |
| InChI Key | GMWXPHUWGALEIF-UHFFFAOYSA-N |
| MDL Number | MFCD18447669 |
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.1946 |
| SMILES | N1(C2C=CC=CC=2)C=CC=C1C#N |
| Synonyms | 1-Phenyl-1H-pyrrole-2-carbonitrile,
35524-46-0,
ZX-CM009648,
FCH898629,
MFCD18447669,
ZINC14684348,
AKOS005138250,
AJ-65302,
Y-7941,
1-phenylpyrrole-2-carbonitrile,
CID11506526,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.199g/mol |
| Monoisotopic Mass | 168.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number