| CAS Number | 34244-15-0 |
| Catalog Number | AG00CHJF(AGN-PC-00N1KQ) |
| Chemical Name | 1-Iodopyrene |
| IUPAC Name | 1-iodopyrene |
| InChI | InChI=1S/C16H9I/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H |
| InChI Key | CWNJSSNWLUIMDP-UHFFFAOYSA-N |
| MDL Number | MFCD00446115 |
| Molecular Formula | C16H9I |
| Molecular Weight | 328.1471 |
| SMILES | IC1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1 |
| Synonyms | 1-iodopyrene,
34244-15-0,
3-iodopyrene,
1-iodo-pyrene,
Pyrene, 1-iodo-,
SCHEMBL2462027,
CTK1B7842,
DTXSID10543716,
CWNJSSNWLUIMDP-UHFFFAOYSA-N,
MFCD00446115,
ZINC143933326,
KS-000017N7,
I0977,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.152g/mol |
| Monoisotopic Mass | 327.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
Lot Number