| CAS Number | 1352317-91-9 |
| Catalog Number | AG009WMD |
| Chemical Name | 2-Fluoro-5-(4-nitrophenyl)benzoic acid |
| IUPAC Name | 2-fluoro-5-(4-nitrophenyl)benzoic acid |
| InChI | InChI=1S/C13H8FNO4/c14-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)15(18)19/h1-7H,(H,16,17) |
| InChI Key | AKNKDVHVOKJUMJ-UHFFFAOYSA-N |
| MDL Number | MFCD20491439 |
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.2053 |
| SMILES | [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C(=O)O)F |
| Synonyms | 2-Fluoro-5-(4-nitrophenyl)benzoic acid,
1352317-91-9,
ACMC-209byd,
CTK8B0283,
DTXSID60718371,
ANW-19763,
MFCD20491439,
ZINC74937801,
AKOS025294369,
TC-108508,
B-8469,
4-Fluoro-4'-nitro[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 349 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.208g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number