| CAS Number | 866579-96-6 |
| Catalog Number | AG00IE61(AGN-PC-00DAD7) |
| Chemical Name | Ethanone, 1-(2-fluoro-4-nitrophenyl)- |
| IUPAC Name | 1-(2-fluoro-4-nitrophenyl)ethanone |
| InChI | InChI=1S/C8H6FNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3 |
| InChI Key | LBEGSSDPGNYHQI-UHFFFAOYSA-N |
| MDL Number | MFCD13194362 |
| Molecular Formula | C8H6FNO3 |
| Molecular Weight | 183.1365 |
| SMILES | CC(C1=CC=C([N+]([O-])=O)C=C1F)=O |
| Synonyms | 1-(2-fluoro-4-nitrophenyl)ethanone,
866579-96-6,
2'-Fluoro-4'-nitroacetophenone,
Ethanone, 1-(2-fluoro-4-nitrophenyl)-,
SCHEMBL1360146,
MFCD13194362,
ZINC35986316,
AKOS017518639,
1-(2-Fluoro-4-nitro-phenyl)-ethanone,
1-(2-fluoro-4-nitrophenyl)ethan-1-one,
1-(2-fluoro-4-nitro-phenyl)ethanone,
CID11644034,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.138g/mol |
| Monoisotopic Mass | 183.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number