| CAS Number | 231278-65-2 |
| Catalog Number | AG01AAL1(AGN-PC-03HQBM) |
| Chemical Name | 3-Fluoro-4-((3-fluorobenzyl)oxy)aniline |
| IUPAC Name | 3-fluoro-4-[(3-fluorophenyl)methoxy]aniline |
| InChI | InChI=1S/C13H11F2NO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2 |
| InChI Key | USOZORKORACUMN-UHFFFAOYSA-N |
| MDL Number | MFCD11621723 |
| Molecular Formula | C13H11F2NO |
| Molecular Weight | 235.2293 |
| SMILES | FC=1C=C(N)C=CC1OCC1=CC(=CC=C1)F |
| Synonyms | 3-fluoro-4-[(3-fluorophenyl)methoxy]aniline,
231278-65-2,
AC1Q51OW,
SCHEMBL3321494,
USOZORKORACUMN-UHFFFAOYSA-N,
ZINC37064782,
AKOS009403421,
MCULE-3281545705,
NE24235,
3-fluoro-4-(3-fluoro-benzyloxy)-phenylamine,
EN300-68910,
Z933590948,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.234g/mol |
| Monoisotopic Mass | 235.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number