| CAS Number | 370864-61-2 |
| Catalog Number | AG00CLSR(AGN-PC-0E8LLO) |
| Chemical Name | 2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid |
| IUPAC Name | 2-fluoro-4-(6-methoxypyridin-3-yl)benzoic acid |
| InChI | InChI=1S/C13H10FNO3/c1-18-12-5-3-9(7-15-12)8-2-4-10(13(16)17)11(14)6-8/h2-7H,1H3,(H,16,17) |
| InChI Key | KWZDUJBEZOVBRB-UHFFFAOYSA-N |
| MDL Number | MFCD16240297 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | COc1ccc(cn1)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 2-Fluoro-4-(6-methoxypyridin-3-yl)benzoic acid,
370864-61-2,
ACMC-209iqm,
SCHEMBL1870254,
CTK8B1558,
DTXSID90734281,
KWZDUJBEZOVBRB-UHFFFAOYSA-N,
ANW-28556,
MFCD16240297,
ZINC44272126,
AKOS011049059,
SEL10606305,
AJ-109638,
AX8240234,
TC-117301,
V5552,
B-9762,
C13H10FNO3,
2-Fluoro-4-(6-methoxypyridin-3-yl)benzoicacid,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number