| CAS Number | 57248-13-2 |
| Catalog Number | AG00EAG2(AGN-PC-03C76C) |
| Chemical Name | 2,5-Dimethylthiophene-3-carbonyl chloride |
| IUPAC Name | 2,5-dimethylthiophene-3-carbonyl chloride |
| InChI | InChI=1S/C7H7ClOS/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3 |
| InChI Key | QWQVQKIVNYYIFN-UHFFFAOYSA-N |
| MDL Number | MFCD08056318 |
| Molecular Formula | C7H7ClOS |
| Molecular Weight | 174.6479 |
| SMILES | S1C(=C(C=C1C)C(=O)Cl)C |
| Synonyms | 2,5-Dimethylthiophene-3-carbonyl chloride,
57248-13-2,
SCHEMBL11845297,
CTK1G8190,
DTXSID70615342,
ZX-AT001959,
MFCD08056318,
OR6371,
SBB053642,
ZINC16124677,
FCH1142329,
PS-10796,
Z-2478,
2,5-dimethylthiophene-3-carboxylic acid chloride,
3-Thiophenecarbonyl chloride, 2,5-dimethyl- (9CI),
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.642g/mol |
| Monoisotopic Mass | 173.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number