| CAS Number | 97511-04-1 |
| Catalog Number | AG003AE8(AGN-PC-00MHL9) |
| Chemical Name | 3-Bromodibenzothiophene |
| IUPAC Name | 3-bromodibenzothiophene |
| InChI | InChI=1S/C12H7BrS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H |
| InChI Key | FDPBPKDNWCZVQR-UHFFFAOYSA-N |
| MDL Number | MFCD11052997 |
| Molecular Formula | C12H7BrS |
| Molecular Weight | 263.1530 |
| SMILES | BrC=1C=CC2=C(SC3=C2C=CC=C3)C1 |
| Synonyms | 3-bromoDibenzothiophene,
97511-04-1,
3-Bromodibenzo[b,d]thiophene,
3-bromo-dibenzothiophene,
SCHEMBL258838,
FDPBPKDNWCZVQR-UHFFFAOYSA-N,
MFCD11052997,
ZINC39320986,
DA-00111,
SC-88524,
FT-0699737,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.152g/mol |
| Monoisotopic Mass | 261.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number