| CAS Number | 536748-05-7 |
| Catalog Number | AG01AB46(AGN-PC-03LL2G) |
| Chemical Name | 3-fluoro-N,N-dimethyl-4-nitrobenzamide |
| IUPAC Name | 3-fluoro-N,N-dimethyl-4-nitrobenzamide |
| InChI | InChI=1S/C9H9FN2O3/c1-11(2)9(13)6-3-4-8(12(14)15)7(10)5-6/h3-5H,1-2H3 |
| InChI Key | KHNPKPIOPWXLRU-UHFFFAOYSA-N |
| MDL Number | MFCD16845672 |
| Molecular Formula | C9H9FN2O3 |
| Molecular Weight | 212.1778 |
| SMILES | CN(C(C1=CC(F)=C([N+]([O-])=O)C=C1)=O)C |
| Synonyms | 3-fluoro-N,N-dimethyl-4-nitrobenzamide,
536748-05-7,
Benzamide, 3-fluoro-N,N-dimethyl-4-nitro-,
SCHEMBL355589,
KHNPKPIOPWXLRU-UHFFFAOYSA-N,
ZINC54415941,
AKOS011977419,
3-Fluoro-N,N-dimethyl-4-nitro-benzamide,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.18g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number