| CAS Number | 41553-54-2 |
| Catalog Number | AG01BB67(AGN-PC-0NINOG) |
| Chemical Name | 5-Bromo-2,3-dihydro-1-benzothiophene |
| IUPAC Name | 5-bromo-2,3-dihydro-1-benzothiophene |
| InChI | InChI=1S/C8H7BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2 |
| InChI Key | HFGPNLPQFASBDW-UHFFFAOYSA-N |
| MDL Number | MFCD22038083 |
| Molecular Formula | C8H7BrS |
| Molecular Weight | 215.1102 |
| SMILES | BrC1=CC2=C(SCC2)C=C1 |
| Synonyms | 5-bromo-2,3-dihydro-1-benzothiophene,
41553-54-2,
5-Bromo-2,3-dihydrobenzo[b]thiophene,
SCHEMBL3115309,
HFGPNLPQFASBDW-UHFFFAOYSA-N,
ZINC39209526,
5-bromo-2,3-dihydro-benzo[b]thiophene,
DB-123866,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.94518g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.11g/mol |
| Monoisotopic Mass | 213.94518g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number