| CAS Number | 78751-80-1 |
| Catalog Number | AG00G54V(AGN-PC-0WD4P0) |
| Chemical Name | 2-Bromo-7-tert-butylpyrene |
| IUPAC Name | 2-bromo-7-tert-butylpyrene |
| InChI | InChI=1S/C20H17Br/c1-20(2,3)16-8-12-4-6-14-10-17(21)11-15-7-5-13(9-16)18(12)19(14)15/h4-11H,1-3H3 |
| InChI Key | RYLYZVOQPGVCQT-UHFFFAOYSA-N |
| MDL Number | MFCD23143151 |
| Molecular Formula | C20H17Br |
| Molecular Weight | 337.2530 |
| SMILES | CC(C)(C)c1cc2ccc3cc(Br)cc4ccc(c1)c2c34 |
| Synonyms | 2-Bromo-7-tert-butylpyrene,
78751-80-1,
2-Bromo-7-(tert-butyl)pyrene,
SCHEMBL15169264,
DTXSID00743985,
MFCD23143151,
ZINC96023963,
AKOS022186732,
AJ-138261,
AX8283987,
B3957,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.26g/mol |
| Monoisotopic Mass | 336.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
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Certificate of Analysis
Lot Number