| CAS Number | 231278-67-4 |
| Catalog Number | AG01AABK |
| Chemical Name | 4-{[3-(Trifluoromethyl)phenyl]methoxy}aniline |
| IUPAC Name | 4-[[3-(trifluoromethyl)phenyl]methoxy]aniline |
| InChI | InChI=1S/C14H12F3NO/c15-14(16,17)11-3-1-2-10(8-11)9-19-13-6-4-12(18)5-7-13/h1-8H,9,18H2 |
| InChI Key | KSVWUYLDKMOEDI-UHFFFAOYSA-N |
| MDL Number | MFCD12484857 |
| Molecular Formula | C14H12F3NO |
| Molecular Weight | 267.2464 |
| SMILES | NC1=CC=C(OCC2=CC(C(F)(F)F)=CC=C2)C=C1 |
| Synonyms | 4-{[3-(trifluoromethyl)phenyl]methoxy}aniline,
231278-67-4,
SCHEMBL3320586,
AC1Q5254,
ZINC20525831,
AKOS005894964,
MCULE-7564462456,
NE18872,
4-[3-(Trifluoromethyl)benzyloxy]aniline,
EN300-67793,
Z933320844,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.251g/mol |
| Monoisotopic Mass | 267.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number