| CAS Number | 425613-09-8 |
| Catalog Number | AG01EO6L(AGN-PC-3H4688) |
| Chemical Name | SJ000291942 |
| IUPAC Name | 2-(4-ethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide |
| InChI | InChI=1S/C16H15FN2O4/c1-2-11-3-6-13(7-4-11)23-10-16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-9H,2,10H2,1H3,(H,18,20) |
| InChI Key | YSZJLXPXVFGTNK-UHFFFAOYSA-N |
| MDL Number | MFCD02219567 |
| Molecular Formula | C16H15FN2O4 |
| Molecular Weight | 318.2997 |
| SMILES | C(C)C1=CC=C(OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C=C1 |
| Synonyms | SJ000291942,
425613-09-8,
2-(4-ethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide,
AC1LGRVM,
CBMicro_010677,
Oprea1_383864,
SCHEMBL20620014,
ZINC444226,
SMSF0017500,
AKOS008403464,
CB13673,
MCULE-3540916678,
BIM-0010786.P001,
HY-112331,
CS-0045238,
AB00104242-01,
SR-01000230557,
SR-01000230557-1,
CID875819,
ZINC00444226,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.304g/mol |
| Monoisotopic Mass | 318.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number