| CAS Number | 872050-52-7 |
| Catalog Number | AG004N2G(AGN-PC-0CS061) |
| Chemical Name | (4-(Pyren-1-yl)phenyl)boronic acid |
| IUPAC Name | (4-pyren-1-ylphenyl)boronic acid |
| InChI | InChI=1S/C22H15BO2/c24-23(25)18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13,24-25H |
| InChI Key | ISMRPUXCQLIMJL-UHFFFAOYSA-N |
| MDL Number | MFCD28130386 |
| Molecular Formula | C22H15BO2 |
| Molecular Weight | 322.1643 |
| SMILES | OB(C1=CC=C(C2=C(C3=C45)C=CC5=CC=CC4=CC=C3C=C2)C=C1)O |
| Synonyms | (4-(Pyren-1-yl)phenyl)boronic acid,
872050-52-7,
4-(pyren-1-yl)phenylboronic acid,
Boronic acid, [4-(1-pyrenyl)phenyl]-,
4-(1-Pyrenyl)phenylboronic acid (contains varying amounts of Anhydride),
[4-(PYREN-1-YL)PHENYL]BORONIC ACID,
SCHEMBL5162961,
CTK3C5374,
4-(1-Pyrenyl)phenylboronic Acid,
DTXSID40731285,
4-(1-Pyrenyl)benzeneboronic Acid,
MFCD28130386,
ZINC202017568,
KS-000017Y3,
AX8294678,
FT-0720015,
P2305,
4-(1-Pyrenyl)phenylboronicAcid(containsvaryingamountsofAnhydride),
4-(pyren-1-yl)phenyl boronic acid,
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| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.17g/mol |
| Monoisotopic Mass | 322.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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