| CAS Number | 1006061-57-9 |
| Catalog Number | AG00945O(AGN-PC-0WQUJ5) |
| Chemical Name | 1-(Azidomethyl)pyrene |
| IUPAC Name | 1-(azidomethyl)pyrene |
| InChI | InChI=1S/C17H11N3/c18-20-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2 |
| InChI Key | WLKXPQFZTSRGHP-UHFFFAOYSA-N |
| MDL Number | MFCD28975096 |
| Molecular Formula | C17H11N3 |
| Molecular Weight | 257.2893 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN=[N+]=[N-] |
| Synonyms | 1-(Azidomethyl)pyrene,
1006061-57-9,
1-azidomethyl pyrene,
EOS586,
SCHEMBL13834814,
ZINC263619001,
A2791,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.296g/mol |
| Monoisotopic Mass | 257.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 14.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number