| CAS Number | 1393442-54-0 |
| Catalog Number | AG009WTZ(AGN-PC-0WA8MZ) |
| Chemical Name | 3-Fluoro-5-(2-nitrophenyl)benzoic acid |
| IUPAC Name | 3-fluoro-5-(2-nitrophenyl)benzoic acid |
| InChI | InChI=1S/C13H8FNO4/c14-10-6-8(5-9(7-10)13(16)17)11-3-1-2-4-12(11)15(18)19/h1-7H,(H,16,17) |
| InChI Key | VDJDXZBBVRDUMI-UHFFFAOYSA-N |
| MDL Number | MFCD22383715 |
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.2053 |
| SMILES | Fc1cc(cc(c1)c1ccccc1[N+](=O)[O-])C(=O)O |
| Synonyms | 3-Fluoro-5-(2-nitrophenyl)benzoic acid,
1393442-54-0,
ZINC95495644,
AKOS026673199,
V2959,
C13H8FNO4,
B-8924,
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| Complexity | 357 |
| 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