| CAS Number | 1333468-54-4 |
| Catalog Number | AG0014PI(AGN-PC-0WB2QQ) |
| Chemical Name | 2-Chloro-4-(4-fluoro-2-methoxyphenyl)pyridine |
| IUPAC Name | 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine |
| InChI | InChI=1S/C12H9ClFNO/c1-16-11-7-9(14)2-3-10(11)8-4-5-15-12(13)6-8/h2-7H,1H3 |
| InChI Key | LROVANCXMGYVLL-UHFFFAOYSA-N |
| MDL Number | MFCD26386176 |
| Molecular Formula | C12H9ClFNO |
| Molecular Weight | 237.6574 |
| SMILES | ClC1(=NC=CC(=C1)C2(=C(OC)C=C(F)C=C2)) |
| Synonyms | 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine,
1333468-54-4,
SCHEMBL2370541,
KS-00001QBU,
LROVANCXMGYVLL-UHFFFAOYSA-N,
3808AD,
ZINC95921732,
AKOS025393562,
SS-4689,
PC200390,
2-chloro-4-(4-fluoro-2-methoxy-phenyl)pyridine,
C12H9ClFNO,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.658g/mol |
| Monoisotopic Mass | 237.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number