| CAS Number | 1381944-46-2 |
| Catalog Number | AG00186Y(AGN-PC-0J2CC5) |
| Chemical Name | Methyl 2-fluoro-3-(4-fluoro-3-methoxyphenyl)benzoate |
| IUPAC Name | methyl 2-fluoro-3-(4-fluoro-3-methoxyphenyl)benzoate |
| InChI | InChI=1S/C15H12F2O3/c1-19-13-8-9(6-7-12(13)16)10-4-3-5-11(14(10)17)15(18)20-2/h3-8H,1-2H3 |
| InChI Key | HVAVCEGCGIXFDJ-UHFFFAOYSA-N |
| MDL Number | MFCD22375058 |
| Molecular Formula | C15H12F2O3 |
| Molecular Weight | 278.2508 |
| SMILES | COC(=O)c1cccc(c1F)c1ccc(c(c1)OC)F |
| Synonyms | Methyl 2-fluoro-3-(4-fluoro-3-methoxyphenyl)benzoate,
1381944-46-2,
ACMC-209cg2,
CTK8B0716,
DTXSID30743039,
ANW-20400,
MFCD22375058,
ZINC85477294,
CJ-22464,
TC-109145,
V2820,
B-8671,
Methyl 2,4'-difluoro-3'-methoxy[1,1'-biphenyl]-3-carboxylate,
[1,1'-Biphenyl]-3-carboxylic acid, 2,4'-difluoro-3'-methoxy-, methyl ester,
C15H12F2O3,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.255g/mol |
| Monoisotopic Mass | 278.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number