| CAS Number | 199584-94-6 |
| Catalog Number | AG019TGM |
| Chemical Name | 2-{[(4-Fluorophenyl)amino]methyl}-6-methoxyphenol |
| IUPAC Name | 2-[(4-fluoroanilino)methyl]-6-methoxyphenol |
| InChI | InChI=1S/C14H14FNO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-8,16-17H,9H2,1H3 |
| InChI Key | WAWRXHIWBGKAHR-UHFFFAOYSA-N |
| MDL Number | MFCD00028084 |
| Molecular Formula | C14H14FNO2 |
| Molecular Weight | 247.2649 |
| SMILES | COC1=C(O)C(CNC2=CC=C(F)C=C2)=CC=C1 |
| Synonyms | 2-{[(4-fluorophenyl)amino]methyl}-6-methoxyphenol,
199584-94-6,
AC1NE92W,
AC1Q468L,
ZINC397774,
STK878994,
AKOS000240514,
MCULE-8170502288,
NE23731,
2-[(4-fluoroanilino)methyl]-6-methoxyphenol,
Z1318147511,
N-(4-FLUOROPHENYL)-2-HYDROXY-3-METHOXYBENZYLAMINE,
CID4638536,
2-[[(4-fluorophenyl)amino]methyl]-6-methoxy-phenol,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.269g/mol |
| Monoisotopic Mass | 247.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number