| CAS Number | 937598-05-5 |
| Catalog Number | AG019X7S(AGN-PC-0WBVVR) |
| Chemical Name | 3-Fluoro-4-(2-methoxy-4-methylphenoxy)aniline |
| IUPAC Name | 3-fluoro-4-(2-methoxy-4-methylphenoxy)aniline |
| InChI | InChI=1S/C14H14FNO2/c1-9-3-5-13(14(7-9)17-2)18-12-6-4-10(16)8-11(12)15/h3-8H,16H2,1-2H3 |
| InChI Key | RDTZNFRMGXUYME-UHFFFAOYSA-N |
| MDL Number | MFCD08687841 |
| Molecular Formula | C14H14FNO2 |
| Molecular Weight | 247.2649 |
| SMILES | COC1=C(OC2=C(F)C=C(N)C=C2)C=CC(C)=C1 |
| Synonyms | 3-fluoro-4-(2-methoxy-4-methylphenoxy)aniline,
937598-05-5,
AC1Q472Z,
CTK6J5523,
ZINC14630724,
AKOS000318379,
MCULE-7472664343,
NE13977,
TR-046935,
EN300-54288,
Z815264114,
|
| Complexity | 264 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.269g/mol |
| Monoisotopic Mass | 247.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number