| CAS Number | 1257535-04-8 |
| Catalog Number | AG009YUV |
| Chemical Name | Phenyl 2-fluoro-5-nitrobenzoate |
| IUPAC Name | phenyl 2-fluoro-5-nitrobenzoate |
| InChI | InChI=1S/C13H8FNO4/c14-12-7-6-9(15(17)18)8-11(12)13(16)19-10-4-2-1-3-5-10/h1-8H |
| InChI Key | CNCFGYULISHIJA-UHFFFAOYSA-N |
| MDL Number | MFCD16170460 |
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.2053 |
| SMILES | [O-][N+](=O)c1ccc(F)c(c1)C(=O)Oc1ccccc1 |
| Synonyms | Phenyl 2-fluoro-5-nitrobenzoate,
1257535-04-8,
ZX-AP010352,
MFCD16170460,
ZINC64370272,
AKOS027254368,
CM12777,
PC01653,
4-Fluoro-3-(phenoxycarbonyl)nitrobenzene,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.208g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number