| CAS Number | 1261970-11-9 |
| Catalog Number | AG009WZV(AGN-PC-0WA7DC) |
| Chemical Name | 3-(4-Carboxy-3-fluorophenyl)-5-nitrobenzoic acid |
| IUPAC Name | 4-(3-carboxy-5-nitrophenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C14H8FNO6/c15-12-6-7(1-2-11(12)14(19)20)8-3-9(13(17)18)5-10(4-8)16(21)22/h1-6H,(H,17,18)(H,19,20) |
| InChI Key | SVIKXSQWSVBQEK-UHFFFAOYSA-N |
| MDL Number | MFCD18321516 |
| Molecular Formula | C14H8FNO6 |
| Molecular Weight | 305.2148 |
| SMILES | [O-][N+](=O)c1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O |
| Synonyms | 3-(4-CARBOXY-3-FLUOROPHENYL)-5-NITROBENZOIC ACID,
1261970-11-9,
DTXSID00690945,
MFCD18321516,
ZINC95495280,
Z9240,
K-3344,
3'-Fluoro-5-nitro[1,1'-biphenyl]-3,4'-dicarboxylic acid,
C14H8FNO6,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.217g/mol |
| Monoisotopic Mass | 305.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number