| CAS Number | 19075-43-5 |
| Catalog Number | AG00IWLS(AGN-PC-0WAZDJ) |
| Chemical Name | 4-Bromobenzo[b]thiophene-2-carbaldehyde |
| IUPAC Name | 4-bromo-1-benzothiophene-2-carbaldehyde |
| InChI | InChI=1S/C9H5BrOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H |
| InChI Key | AISRITCYHXZEOO-UHFFFAOYSA-N |
| MDL Number | MFCD19381762 |
| Molecular Formula | C9H5BrOS |
| Molecular Weight | 241.1044 |
| SMILES | BrC1=CC=CC=2SC(=CC21)C=O |
| Synonyms | 4-bromo-1-benzothiophene-2-carbaldehyde,
19075-43-5,
4-Bromobenzo[b]thiophene-2-carbaldehyde,
bromobenzothiophenecarbaldehyde,
SCHEMBL12095302,
4-Bromo-2-formyl-1-benzothiophene,
KS-000024VU,
ZX-AT014177,
MFCD19381762,
ZINC66324195,
AKOS015991408,
EF-0753,
FCH1357222,
OR54346,
RP13785,
4-Bromo-1-benzothiophene-2-carboxaldehyde,
Benzo[b]thiophene-2-carboxaldehyde, 4-bromo-,
4-Bromobenzo[b]thiophene-2-carboxaldehyde,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.102g/mol |
| Monoisotopic Mass | 239.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number