| CAS Number | 1373233-14-7 |
| Catalog Number | AG00135I(AGN-PC-0J2C9W) |
| Chemical Name | 3-(3-Fluoro-4-methylphenyl)-5-methoxypyridine |
| IUPAC Name | 3-(3-fluoro-4-methylphenyl)-5-methoxypyridine |
| InChI | InChI=1S/C13H12FNO/c1-9-3-4-10(6-13(9)14)11-5-12(16-2)8-15-7-11/h3-8H,1-2H3 |
| InChI Key | UMVRMOLOZXDCHL-UHFFFAOYSA-N |
| MDL Number | MFCD22192487 |
| Molecular Formula | C13H12FNO |
| Molecular Weight | 217.2389 |
| SMILES | COC1=CC(C2=CC(F)=C(C)C=C2)=CN=C1 |
| Synonyms | 3-(3-Fluoro-4-methylphenyl)-5-methoxypyridine,
1373233-14-7,
ACMC-209cc0,
CTK8B0622,
DTXSID00742958,
ANW-20254,
MFCD22192487,
ZINC82046477,
CJ-22012,
AJ-124172,
AX8240281,
TC-108999,
V2710,
B-8642,
Pyridine, 3-(3-fluoro-4-methylphenyl)-5-methoxy-,
C13H12FNO,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.243g/mol |
| Monoisotopic Mass | 217.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number