| CAS Number | 1365273-04-6 |
| Catalog Number | AG00121G(AGN-PC-0J2C96) |
| Chemical Name | Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate |
| IUPAC Name | methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate |
| InChI | InChI=1S/C13H9F2NO2/c1-18-13(17)9-5-8(6-10(14)7-9)12-11(15)3-2-4-16-12/h2-7H,1H3 |
| InChI Key | KLKCIBLYZCJPLZ-UHFFFAOYSA-N |
| MDL Number | MFCD21609726 |
| Molecular Formula | C13H9F2NO2 |
| Molecular Weight | 249.2129 |
| SMILES | COC(=O)c1cc(F)cc(c1)c1ncccc1F |
| Synonyms | Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate,
1365273-04-6,
ACMC-209c97,
CTK8B0586,
DTXSID00742933,
ANW-20153,
MFCD21609726,
ZINC85210141,
CJ-22254,
AJ-126449,
AX8243238,
TC-108898,
V2649,
B-9777,
Benzoic acid, 3-fluoro-5-(3-fluoro-2-pyridinyl)-, methyl ester,
C13H9F2NO2,
Methyl3-fluoro-5-(3-fluoropyridin-2-yl)benzoate,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.217g/mol |
| Monoisotopic Mass | 249.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number