| CAS Number | 31845-00-8 |
| Catalog Number | AG01C2UB(AGN-PC-03G5I9) |
| Chemical Name | 4-Bromo-5-nitrothiophene-2-carbonitrile |
| IUPAC Name | 4-bromo-5-nitrothiophene-2-carbonitrile |
| InChI | InChI=1S/C5HBrN2O2S/c6-4-1-3(2-7)11-5(4)8(9)10/h1H |
| InChI Key | WHIYTPLNDQYIBZ-UHFFFAOYSA-N |
| MDL Number | MFCD18905599 |
| Molecular Formula | C5HBrN2O2S |
| Molecular Weight | 233.0426 |
| SMILES | [O-][N+](C1=C(Br)C=C(C#N)S1)=O |
| Synonyms | 4-bromo-5-nitrothiophene-2-carbonitrile,
4-Bromo-5-nitro-thiophene-2-carbonitrile,
31845-00-8,
SCHEMBL947376,
WHIYTPLNDQYIBZ-UHFFFAOYSA-N,
ZINC84232401,
FCH1347390,
EN300-253089,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.039g/mol |
| Monoisotopic Mass | 231.894g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 97.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number