| CAS Number | 33786-78-6 |
| Catalog Number | AG00I6NO |
| Chemical Name | 3-Chloro-2-nitrothiophene |
| IUPAC Name | 3-chloro-2-nitrothiophene |
| InChI | InChI=1S/C4H2ClNO2S/c5-3-1-2-9-4(3)6(7)8/h1-2H |
| InChI Key | DMRGXGMRGIFNDW-UHFFFAOYSA-N |
| MDL Number | MFCD01006725 |
| Molecular Formula | C4H2ClNO2S |
| Molecular Weight | 163.5822 |
| SMILES | [O-][N+](C1=C(Cl)C=CS1)=O |
| Synonyms | 3-chloro-2-nitrothiophene,
33786-78-6,
3-chloro-2-nitro-thiophene,
SCHEMBL826846,
ZINC39294283,
AKOS000280498,
FT-0726223,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.575g/mol |
| Monoisotopic Mass | 162.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number