| CAS Number | 1354783-31-5 |
| Catalog Number | AG00J2PC(AGN-PC-0WB61F) |
| Chemical Name | 4-Bromo-5-ethyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 4-bromo-5-ethyl-1H-pyrrole-2-carbonitrile |
| InChI | InChI=1S/C7H7BrN2/c1-2-7-6(8)3-5(4-9)10-7/h3,10H,2H2,1H3 |
| InChI Key | OIGZTXWITAYCFZ-UHFFFAOYSA-N |
| MDL Number | MFCD21364404 |
| Molecular Formula | C7H7BrN2 |
| Molecular Weight | 199.0479 |
| SMILES | N1C(C#N)=CC(Br)=C1CC |
| Synonyms | 4-bromo-5-ethyl-1H-pyrrole-2-carbonitrile,
1354783-31-5,
ZX-CM010324,
MFCD21364404,
ZINC72109535,
AKOS015832896,
FCH1563541,
Y-8452,
4-Bromo-5-ethyl-1H-pyrrole-2-carbonitrile, AldrichCPR,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.051g/mol |
| Monoisotopic Mass | 197.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number