| CAS Number | 1378454-77-3 |
| Catalog Number | AG00HV30 |
| Chemical Name | N-CYCLOHEXYL-2-FLUORO-4-NITROBENZAMIDE |
| IUPAC Name | N-cyclohexyl-2-fluoro-4-nitrobenzamide |
| InChI | InChI=1S/C13H15FN2O3/c14-12-8-10(16(18)19)6-7-11(12)13(17)15-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,17) |
| InChI Key | YTODDDOEPCOXRU-UHFFFAOYSA-N |
| MDL Number | MFCD18206182 |
| Molecular Formula | C13H15FN2O3 |
| Molecular Weight | 266.2682 |
| SMILES | O=C(c1ccc(cc1F)[N+](=O)[O-])NC1CCCCC1 |
| Synonyms | N-cyclohexyl-2-fluoro-4-nitrobenzamide,
1378454-77-3,
ZINC54056812,
A1-10731,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106671g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.27g/mol |
| Monoisotopic Mass | 266.106671g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number