| CAS Number | 32969-26-9 |
| Catalog Number | AG00CM0L(AGN-PC-000TBT) |
| Chemical Name | 3-Bromo-5-chlorobenzo[b]thiophene |
| IUPAC Name | 3-bromo-5-chloro-1-benzothiophene |
| InChI | InChI=1S/C8H4BrClS/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H |
| InChI Key | VHNKCGJYSJENJZ-UHFFFAOYSA-N |
| MDL Number | MFCD14706728 |
| Molecular Formula | C8H4BrClS |
| Molecular Weight | 247.5394 |
| SMILES | ClC1=CC2=C(SC=C2Br)C=C1 |
| Synonyms | 3-Bromo-5-chlorobenzo[b]thiophene,
32969-26-9,
3-bromo-5-chlorobenzothiophene,
SCHEMBL3682441,
CTK8B8098,
DTXSID40557866,
VHNKCGJYSJENJZ-UHFFFAOYSA-N,
3-bromo-5-chloro-benzo[b]thiophene,
ANW-59340,
ZINC34256472,
FCH1387751,
MB14444,
AJ-87671,
DA-18941,
3-BROMO-5-CHLORO-1-BENZOTHIOPHENE,
AX8163257,
TC-148085,
FT-0719645,
BENZO[B]THIOPHENE, 3-BROMO-5-CHLORO-,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.534g/mol |
| Monoisotopic Mass | 245.891g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number