| CAS Number | 1172087-81-8 |
| Catalog Number | AG000DX5(AGN-PC-0WQUK0) |
| Chemical Name | 9,9'-Bianthracene, 10-broMo-10'-(2-naphthalenyl)- |
| IUPAC Name | 9-bromo-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene |
| InChI | InChI=1S/C38H23Br/c39-38-33-19-9-7-17-31(33)37(32-18-8-10-20-34(32)38)36-29-15-5-3-13-27(29)35(28-14-4-6-16-30(28)36)26-22-21-24-11-1-2-12-25(24)23-26/h1-23H |
| InChI Key | OUMDUWOVDLPNDY-UHFFFAOYSA-N |
| MDL Number | MFCD22987563 |
| Molecular Formula | C38H23Br |
| Molecular Weight | 559.4932 |
| SMILES | Brc1c2ccccc2c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |
| Synonyms | 1172087-81-8,
10-Bromo-10'-(2-naphthyl)-9,9'-bianthracene,
MFCD22987563,
ZINC263617630,
B4896,
FT-0720794,
10-Bromo-10'-(2-naphthalenyl)-9,9'-bianthracene,
9,9'-Bianthracene,10-bromo-10'-(2-naphthalenyl)-,
10-(9-broMoanthracen-10-yl)-9-(naphthalen-2-yl)anthracene,
10-bromo-9-(10-(naphthalen-2-yl)anthracen-9-yl)anthracene,
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| Complexity | 787 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 558.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 559.506g/mol |
| Monoisotopic Mass | 558.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number