| CAS Number | 946663-94-1 |
| Catalog Number | AG019X83(AGN-PC-0WBVUW) |
| Chemical Name | 3-Fluoro-4-(2-methoxyphenoxy)aniline |
| IUPAC Name | 3-fluoro-4-(2-methoxyphenoxy)aniline |
| InChI | InChI=1S/C13H12FNO2/c1-16-12-4-2-3-5-13(12)17-11-7-6-9(15)8-10(11)14/h2-8H,15H2,1H3 |
| InChI Key | VGNXTTBOFQFYLM-UHFFFAOYSA-N |
| MDL Number | MFCD08687843 |
| Molecular Formula | C13H12FNO2 |
| Molecular Weight | 233.2383 |
| SMILES | COC1=C(OC2=C(F)C=C(N)C=C2)C=CC=C1 |
| Synonyms | 3-fluoro-4-(2-methoxyphenoxy)aniline,
3-FLUORO-4-(2-METHOXYPHENOXY)PHENYLAMINE,
946663-94-1,
CTK7B1631,
AC1Q4730,
4000AF,
ZINC14630652,
AKOS009261056,
MCULE-1278276275,
NE13979,
TR-046899,
EN300-54314,
C13H12FNO2,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.242g/mol |
| Monoisotopic Mass | 233.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number