| CAS Number | 66490-20-8 |
| Catalog Number | AG00FGE0(AGN-PC-0NIWML) |
| Chemical Name | 6-Chlorobenzo[b]thiophene |
| IUPAC Name | 6-chloro-1-benzothiophene |
| InChI | InChI=1S/C8H5ClS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H |
| InChI Key | APAMKXUATGRDBB-UHFFFAOYSA-N |
| MDL Number | MFCD18451626 |
| Molecular Formula | C8H5ClS |
| Molecular Weight | 168.6433 |
| SMILES | ClC1=CC2=C(C=CS2)C=C1 |
| Synonyms | 6-chlorobenzo[b]thiophene,
66490-20-8,
6-Chlorobenzothiophene,
6-chloro-1-benzothiophene,
Benzo[b]thiophene, 6-chloro-,
benzo[b]thiophene,6-chloro-,
SCHEMBL156335,
CTK1J4701,
DTXSID60496349,
APAMKXUATGRDBB-UHFFFAOYSA-N,
MFCD18451626,
ZINC89195397,
AKOS025402936,
AS-40779,
FT-0722312,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.638g/mol |
| Monoisotopic Mass | 167.98g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number