| CAS Number | 121307-29-7 |
| Catalog Number | AG019M8X(AGN-PC-0WBVEH) |
| Chemical Name | 2-Propoxy-5-(trifluoromethyl)aniline |
| IUPAC Name | 2-propoxy-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H12F3NO/c1-2-5-15-9-4-3-7(6-8(9)14)10(11,12)13/h3-4,6H,2,5,14H2,1H3 |
| InChI Key | OZERIEQOZGPKHZ-UHFFFAOYSA-N |
| MDL Number | MFCD01435952 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | NC1=CC(C(F)(F)F)=CC=C1OCCC |
| Synonyms | 2-propoxy-5-(trifluoromethyl)aniline,
2-PROPOXY-5-(TRIFLUOROMETHYL)PHENYLAMINE,
121307-29-7,
AC1M1KEL,
SCHEMBL10352193,
ZINC2661391,
AKOS000103035,
MCULE-1166687495,
NCGC00334869-01,
TR-046197,
BB 0241869,
Z-1240,
AB01326643-02,
Z119993978,
ZINC02661391,
CID2125302,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.207g/mol |
| Monoisotopic Mass | 219.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number