| CAS Number | 1627709-94-7 |
| Catalog Number | AG00ABPQ(AGN-PC-0WGD3D) |
| Chemical Name | LJI308 |
| IUPAC Name | 2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol |
| InChI | InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2 |
| InChI Key | YUYJEQHNWKQNBT-UHFFFAOYSA-N |
| MDL Number | MFCD29905461 |
| Molecular Formula | C21H18F2N2O2 |
| Molecular Weight | 368.3766 |
| SMILES | FC1=C(C(=CC(=C1)C=1C=NC=CC1C1=CC=C(C=C1)N1CCOCC1)F)O |
| Synonyms | LJI308,
1627709-94-7,
LJI-308,
CHEMBL3604794,
BCP24149,
EX-A2325,
BDBM50111384,
s7871,
AKOS030526618,
ZINC334163679,
CS-5380,
HY-19713,
LJI308, >=98% (HPLC),
A14373,
2,6-difluoro-4-{4-[4-(morpholin-4-yl)phenyl]pyridin-3-yl}phenol,
ACN-048130,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.384g/mol |
| Monoisotopic Mass | 368.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number