| CAS Number | 1373232-83-7 |
| Catalog Number | AG00134C(AGN-PC-0J2C9O) |
| Chemical Name | Methyl 3-fluoro-5-(5-methoxypyridin-3-yl)benzoate |
| IUPAC Name | methyl 3-fluoro-5-(5-methoxypyridin-3-yl)benzoate |
| InChI | InChI=1S/C14H12FNO3/c1-18-13-6-11(7-16-8-13)9-3-10(14(17)19-2)5-12(15)4-9/h3-8H,1-2H3 |
| InChI Key | CNDQUTPDFLBMTF-UHFFFAOYSA-N |
| MDL Number | MFCD22192485 |
| Molecular Formula | C14H12FNO3 |
| Molecular Weight | 261.2484 |
| SMILES | COc1cncc(c1)c1cc(F)cc(c1)C(=O)OC |
| Synonyms | Methyl 3-fluoro-5-(5-methoxypyridin-3-yl)benzoate,
1373232-83-7,
ACMC-209cbs,
CTK8B0614,
DTXSID20742950,
ANW-20246,
MFCD22192485,
ZINC85210150,
ABA-8463861,
CJ-22258,
AJ-126454,
AX8243243,
TC-108991,
V2700,
B-8640,
Benzoic acid, 3-fluoro-5-(5-methoxy-3-pyridinyl)-, methyl ester,
C14H12FNO3,
Methyl3-fluoro-5-(5-methoxypyridin-3-yl)benzoate,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.252g/mol |
| Monoisotopic Mass | 261.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^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