| CAS Number | 39978-57-9 |
| Catalog Number | AG00C9XJ(AGN-PC-0NK0FN) |
| Chemical Name | 5-Nitrothiophene-2-carbonyl Chloride |
| IUPAC Name | 5-nitrothiophene-2-carbonyl chloride |
| InChI | InChI=1S/C5H2ClNO3S/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H |
| InChI Key | BYEANWQDRDXPPA-UHFFFAOYSA-N |
| MDL Number | MFCD09260988 |
| Molecular Formula | C5H2ClNO3S |
| Molecular Weight | 191.5923 |
| SMILES | ClC(=O)c1ccc(s1)[N+](=O)[O-] |
| Synonyms | 5-NITROTHIOPHENE-2-CARBONYL CHLORIDE,
39978-57-9,
2-Thiophenecarbonylchloride, 5-nitro-,
5-Nitro-2-thenoyl Chloride,
5-Nitrothiophene-2-carboxylic Acid Chloride,
SCHEMBL6736049,
CTK1C1880,
DTXSID00507887,
BYEANWQDRDXPPA-UHFFFAOYSA-N,
5-Nitrothiophene-2-formyl Chloride,
5-Nitro-2-thiophenecarbonyl Chloride,
ZINC22065354,
AKOS000278518,
FT-0673015,
F1908-0048,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.585g/mol |
| Monoisotopic Mass | 190.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number