| CAS Number | 112433-47-3 |
| Catalog Number | AG01BFIC(AGN-PC-00NVV9) |
| Chemical Name | 3-chloro-2-(chloromethyl)thiophene |
| IUPAC Name | 3-chloro-2-(chloromethyl)thiophene |
| InChI | InChI=1S/C5H4Cl2S/c6-3-5-4(7)1-2-8-5/h1-2H,3H2 |
| InChI Key | NAXGIDPSWRLDDY-UHFFFAOYSA-N |
| MDL Number | MFCD16606495 |
| Molecular Formula | C5H4Cl2S |
| Molecular Weight | 167.0563 |
| SMILES | ClCC1=C(Cl)C=CS1 |
| Synonyms | 3-chloro-2-(chloromethyl)thiophene,
112433-47-3,
Thiophene, 3-chloro-2-(chloromethyl)-,
ACMC-20mg8r,
SCHEMBL2302986,
3-chloro-2-chloromethylthiophene,
CTK0D1852,
DTXSID90548769,
ZINC82707858,
AKOS006387876,
NE18549,
FT-0704329,
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| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.047g/mol |
| Monoisotopic Mass | 165.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number