| CAS Number | 1375068-84-0 |
| Catalog Number | AG007LIZ(AGN-PC-0J2CAF) |
| Chemical Name | Methyl 2-fluoro-4-(5-methoxypyridin-3-yl)benzoate |
| IUPAC Name | methyl 2-fluoro-4-(5-methoxypyridin-3-yl)benzoate |
| InChI | InChI=1S/C14H12FNO3/c1-18-11-5-10(7-16-8-11)9-3-4-12(13(15)6-9)14(17)19-2/h3-8H,1-2H3 |
| InChI Key | JQVYGWMNFLHRSE-UHFFFAOYSA-N |
| MDL Number | MFCD22205799 |
| Molecular Formula | C14H12FNO3 |
| Molecular Weight | 261.2484 |
| SMILES | COc1cncc(c1)c1ccc(c(c1)F)C(=O)OC |
| Synonyms | Methyl 2-fluoro-4-(5-methoxypyridin-3-yl)benzoate,
1375068-84-0,
ACMC-209cd1,
CTK8B0645,
DTXSID40742977,
ANW-20291,
MFCD22205799,
ZINC85210147,
AKOS016008417,
CJ-22256,
AJ-126452,
AX8243241,
TC-109036,
V2738,
C14H12FNO3,
B-8660,
Methyl2-fluoro-4-(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