| CAS Number | 530402-77-8 |
| Catalog Number | AG00DLTA(AGN-PC-0D5SQB) |
| Chemical Name | 4-(4-broMo-phenyl)-dibenzothiophene |
| IUPAC Name | 4-(4-bromophenyl)dibenzothiophene |
| InChI | InChI=1S/C18H11BrS/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-11H |
| InChI Key | FIAXBPCUAUSGJH-UHFFFAOYSA-N |
| MDL Number | MFCD19441307 |
| Molecular Formula | C18H11BrS |
| Molecular Weight | 339.2489 |
| SMILES | BrC1=CC=C(C2=C3C(C4=CC=CC=C4S3)=CC=C2)C=C1 |
| Synonyms | 530402-77-8,
4-(4-Bromophenyl)dibenzo[b,d]thiophene,
4-(4-bromophenyl)dibenzothiophene,
4-(4-bromophenyl)dibenzo[b]thiophene,
SCHEMBL2597559,
DTXSID10733256,
FIAXBPCUAUSGJH-UHFFFAOYSA-N,
4-(4'-bromophenyl)dibenzothiophene,
4-(4-bromophenyl)-dibenzothiophene,
MFCD19441307,
ZINC79062344,
4-(4-bromophenyl)-dibenzo[b]thiophene,
AJ-123071,
AX8282345,
B5384,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.25g/mol |
| Monoisotopic Mass | 337.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number