| CAS Number | 379255-78-4 |
| Catalog Number | AG00CLTB(AGN-PC-0KR6IC) |
| Chemical Name | 2-chloro-N-(4-fluoro-2-nitrophenyl)acetamide |
| IUPAC Name | 2-chloro-N-(4-fluoro-2-nitrophenyl)acetamide |
| InChI | InChI=1S/C8H6ClFN2O3/c9-4-8(13)11-6-2-1-5(10)3-7(6)12(14)15/h1-3H,4H2,(H,11,13) |
| InChI Key | UBKHLGMBPHJNAT-UHFFFAOYSA-N |
| MDL Number | MFCD03147404 |
| Molecular Formula | C8H6ClFN2O3 |
| Molecular Weight | 232.5962 |
| SMILES | [O-][N+](C1=C(NC(CCl)=O)C=CC(F)=C1)=O |
| Synonyms | 2-chloro-N-(4-fluoro-2-nitrophenyl)acetamide,
379255-78-4,
AC1MLTD3,
ZINC5516863,
STL281971,
AKOS000295680,
MCULE-9337127976,
CJ-12645,
V5595,
SR-01000037790,
SR-01000037790-1,
C8H6ClFN2O3,
ZINC05516863,
CID3250232,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.595g/mol |
| Monoisotopic Mass | 232.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number