| CAS Number | 1258613-93-2 |
| Catalog Number | AG000OV8(AGN-PC-09Q3ZW) |
| Chemical Name | 5-(4-Carboxy-3-fluorophenyl)nicotinic acid |
| IUPAC Name | 5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H8FNO4/c14-11-4-7(1-2-10(11)13(18)19)8-3-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)(H,18,19) |
| InChI Key | HODASSBFEUUHHM-UHFFFAOYSA-N |
| MDL Number | MFCD18085602 |
| Molecular Formula | C13H8FNO4 |
| Molecular Weight | 261.2053 |
| SMILES | OC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 5-(4-CARBOXY-3-FLUOROPHENYL)NICOTINIC ACID,
1258613-93-2,
ACMC-209b0u,
CTK8A9598,
DTXSID40687879,
ANW-18556,
MFCD18085602,
ZINC65348411,
AKOS015999265,
AJ-115372,
AX8229957,
TC-107301,
ST24023750,
Z9008,
B-6785,
5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 5-(4-carboxy-3-fluorophenyl)-,
C13H8FNO4,
5-(4-Carboxy-3-fluorophenyl)nicotinicacid,
|
| Complexity | 363 |
| 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 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.208g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number