| CAS Number | 1214365-08-8 |
| Catalog Number | AG00HG70 |
| Chemical Name | 2-(3-Fluorophenyl)nicotinic acid |
| IUPAC Name | 2-(3-fluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8FNO2/c13-9-4-1-3-8(7-9)11-10(12(15)16)5-2-6-14-11/h1-7H,(H,15,16) |
| InChI Key | ORUDTMKJDTXBQF-UHFFFAOYSA-N |
| MDL Number | MFCD00429496 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | C(C=1C=CC=NC1C=2C=C(C=CC2)F)(=O)O |
| Synonyms | 2-(3-FLUOROPHENYL)NICOTINIC ACID,
1214365-08-8,
2-(3-fluorophenyl)pyridine-3-carboxylic acid,
DTXSID90673409,
MFCD14700036,
CS-0059791,
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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 | 217.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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