| CAS Number | 1588440-95-2 |
| Catalog Number | AG001QWW(AGN-PC-0WAN7Q) |
| Chemical Name | 4,7-Dibromo-2-phenylbenzo[d]thiazole |
| IUPAC Name | 4,7-dibromo-2-phenyl-1,3-benzothiazole |
| InChI | InChI=1S/C13H7Br2NS/c14-9-6-7-10(15)12-11(9)16-13(17-12)8-4-2-1-3-5-8/h1-7H |
| InChI Key | GRDUECATKOOADC-UHFFFAOYSA-N |
| MDL Number | MFCD27923419 |
| Molecular Formula | C13H7Br2NS |
| Molecular Weight | 369.0744 |
| SMILES | [Br]C3(=C2(SC(C1(=CC=CC=C1))=NC2=C([Br])C=C3)) |
| Synonyms | 4,7-Dibromo-2-phenylbenzo[d]thiazole,
1588440-95-2,
4,7-dibromo-2-phenyl-1,3-benzothiazole,
AK143329,
SCHEMBL17856768,
MFCD27923419,
ZINC95670840,
AKOS022175580,
Benzothiazole, 4,7-dibromo-2-phenyl-,
DS-3068,
AJ-133487,
ST2410934,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.074g/mol |
| Monoisotopic Mass | 366.867g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number