| CAS Number | 1261934-09-1 |
| Catalog Number | AG000S7K(AGN-PC-09Q3R0) |
| Chemical Name | 5-(4-Fluoro-3-methoxyphenyl)nicotinic acid |
| IUPAC Name | 5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10FNO3/c1-18-12-5-8(2-3-11(12)14)9-4-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17) |
| InChI Key | KZNJNHUFTLNHKB-UHFFFAOYSA-N |
| MDL Number | MFCD18317538 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | COc1cc(ccc1F)c1cncc(c1)C(=O)O |
| Synonyms | 5-(4-FLUORO-3-METHOXYPHENYL)NICOTINIC ACID,
1261934-09-1,
ACMC-209b5w,
CTK8A9758,
DTXSID50687567,
ANW-18738,
MFCD18317538,
ZINC65347970,
AKOS015999297,
AJ-115368,
AX8230397,
TC-107483,
ST24023756,
Z9171,
B-6909,
5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 5-(4-fluoro-3-methoxyphenyl)-,
C13H10FNO3,
5-(4-Fluoro-3-methoxyphenyl)nicotinicacid,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.225g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number