| CAS Number | 59080-18-1 |
| Catalog Number | AG00F22E(AGN-PC-0KKTJ6) |
| Chemical Name | 4-Fluoronaphthyl methyl sulfone |
| IUPAC Name | 1-fluoro-4-methylsulfonylnaphthalene |
| InChI | InChI=1S/C11H9FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3 |
| InChI Key | BFJDLILZBCRIPN-UHFFFAOYSA-N |
| MDL Number | MFCD07368977 |
| Molecular Formula | C11H9FO2S |
| Molecular Weight | 224.2514 |
| SMILES | C1C=C2C(C(S(C)(=O)=O)=CC=C2F)=CC=1 |
| Synonyms | 4-Fluoronaphthyl methyl sulfone,
59080-18-1,
AC1MCHAX,
SCHEMBL4573139,
CTK1E8199,
DTXSID90377814,
KS-00003KI9,
ZINC4290609,
1-fluoro-4-methylsulfonylnaphthalene,
1-fluoro-4-methanesulfonylnaphthalene,
AKOS026672171,
1-fluoro-4-(methylsulfonyl)naphthalene,
FS-1788,
Naphthalene, 1-fluoro-4-(methylsulfonyl)-,
ZINC04290609,
CID2769641,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.249g/mol |
| Monoisotopic Mass | 224.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number