| CAS Number | 1214346-44-7 |
| Catalog Number | AG0014VE(AGN-PC-0WD041) |
| Chemical Name | Ethanone, 1-(4-fluoro-2-nitrophenyl)- |
| IUPAC Name | 1-(4-fluoro-2-nitrophenyl)ethanone |
| InChI | InChI=1S/C8H6FNO3/c1-5(11)7-3-2-6(9)4-8(7)10(12)13/h2-4H,1H3 |
| InChI Key | FWVAEFFNYPYLFH-UHFFFAOYSA-N |
| MDL Number | MFCD13194367 |
| Molecular Formula | C8H6FNO3 |
| Molecular Weight | 183.1365 |
| SMILES | CC(C1=CC=C(F)C=C1[N+]([O-])=O)=O |
| Synonyms | 1-(4-Fluoro-2-nitrophenyl)ethanone,
1214346-44-7,
1-(4-fluoro-2-nitrophenyl)ethan-1-one,
4'-FLUORO-2'-NITROACETOPHENONE,
SCHEMBL621197,
DTXSID10607408,
MFCD13194367,
ZINC95348205,
ACN-056204,
NE33693,
Ethanone, 1-(4-fluoro-2-nitrophenyl)-,
AJ-132633,
CS-0089132,
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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 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number