| CAS Number | 1388025-38-4 |
| Catalog Number | AG01DYQ2(AGN-PC-3H45DO) |
| Chemical Name | 7-(Chloromethyl)-1-benzothiophene |
| IUPAC Name | 7-(chloromethyl)-1-benzothiophene |
| InChI | InChI=1S/C9H7ClS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2 |
| InChI Key | XJSUQACPZPJYPK-UHFFFAOYSA-N |
| MDL Number | MFCD22560418 |
| Molecular Formula | C9H7ClS |
| Molecular Weight | 182.6699 |
| SMILES | ClCC1=C2C(C=CS2)=CC=C1 |
| Synonyms | 7-(Chloromethyl)benzo[b]thiophene,
1388025-38-4,
7-(chloromethyl)-1-benzothiophene,
AKOS027441335,
ZINC238520843,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.665g/mol |
| Monoisotopic Mass | 181.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number