| CAS Number | 1355247-87-8 |
| Catalog Number | AG006YUJ(AGN-PC-0J2C58) |
| Chemical Name | Methyl 4-(3-fluoropyridin-2-yl)benzoate |
| IUPAC Name | methyl 4-(3-fluoropyridin-2-yl)benzoate |
| InChI | InChI=1S/C13H10FNO2/c1-17-13(16)10-6-4-9(5-7-10)12-11(14)3-2-8-15-12/h2-8H,1H3 |
| InChI Key | GUTJJFZNPUJZKT-UHFFFAOYSA-N |
| MDL Number | MFCD21333046 |
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.2224 |
| SMILES | COC(=O)c1ccc(cc1)c1ncccc1F |
| Synonyms | Methyl 4-(3-fluoropyridin-2-yl)benzoate,
1355247-87-8,
ACMC-209c2p,
SCHEMBL14886474,
CTK8B0414,
DTXSID60742792,
ANW-19919,
MFCD21333046,
ZINC85210160,
AKOS016008463,
CJ-22262,
AJ-126460,
AX8243250,
TC-108664,
V2470,
B-9771,
C13H10FNO2,
Methyl4-(3-fluoropyridin-2-yl)benzoate,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.226g/mol |
| Monoisotopic Mass | 231.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number