| CAS Number | 1308384-54-4 |
| Catalog Number | AG00J2LZ |
| Chemical Name | 4-Bromo-1-ethyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 4-bromo-1-ethylpyrrole-2-carbonitrile |
| InChI | InChI=1S/C7H7BrN2/c1-2-10-5-6(8)3-7(10)4-9/h3,5H,2H2,1H3 |
| InChI Key | COCIJLTUNLCFQZ-UHFFFAOYSA-N |
| MDL Number | MFCD18917077 |
| Molecular Formula | C7H7BrN2 |
| Molecular Weight | 199.0479 |
| SMILES | N1(CC)C=C(C=C1C#N)Br |
| Synonyms | 4-bromo-1-ethyl-1H-pyrrole-2-carbonitrile,
1308384-54-4,
SCHEMBL20562547,
ZX-CM010072,
MFCD18917077,
ZINC67425324,
AKOS015832761,
FCH1052052,
Y-8044,
4-Bromo-1-ethyl-1H-pyrrole-2-carbonitrile, AldrichCPR,
4044960-25G,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.051g/mol |
| Monoisotopic Mass | 197.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number