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4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene (purified by sublimation) - >96.0%(HPLC), high purity , CAS No.2397-00-4
Basic Description
Synonyms | 4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene (purified by sublimation) | 4,4'-bis-(5-Methylbenzoxazol-2-yl)stilbene | 4,4'-bis(5-methylbenzoxazol-2-yl)stilbene | BENZOXAZOLE, 2,2'-(VINYLENEDI-P-PHENYLENE)BIS(5-METHYL- | A817012 | AKOS015842075 | LS-15276 | P |
Specifications & Purity | ≥96%(HPLC) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 5-methyl-2-[4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole |
INCHI | InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3/b6-5+ |
InChi Key | OKEZAUMKBWTTCR-AATRIKPKSA-N |
Canonical SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C |
Isomeric SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C |
PubChem CID | 6436901 |
Molecular Weight | 442.52 |
Reaxy-Rn | 588419 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 336-342 ºC |
Molecular Weight | 442.500 g/mol |
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XLogP3 | 7.900 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 4 |
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Exact Mass | 442.168 Da |
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Monoisotopic Mass | 442.168 Da |
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Topological Polar Surface Area | 52.100 Ų |
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Heavy Atom Count | 34 |
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Formal Charge | 0 |
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Complexity | 638.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 1 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 1 |
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Covalently-Bonded Unit Count | 1 |
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