| CAS Number | 61946-84-7 |
| Catalog Number | AG019Y0P(AGN-PC-03NT1F) |
| Chemical Name | 4-(2-(Trifluoromethyl)phenoxy)aniline |
| IUPAC Name | 4-[2-(trifluoromethyl)phenoxy]aniline |
| InChI | InChI=1S/C13H10F3NO/c14-13(15,16)11-3-1-2-4-12(11)18-10-7-5-9(17)6-8-10/h1-8H,17H2 |
| InChI Key | KXMDOXRREFXBJN-UHFFFAOYSA-N |
| MDL Number | MFCD11132449 |
| Molecular Formula | C13H10F3NO |
| Molecular Weight | 253.2198 |
| SMILES | NC1=CC=C(OC2=C(C(F)(F)F)C=CC=C2)C=C1 |
| Synonyms | 4-[2-(trifluoromethyl)phenoxy]aniline,
61946-84-7,
4-(2-(Trifluoromethyl)phenoxy)aniline,
SCHEMBL476252,
CTK2C9925,
DTXSID70624611,
AC1Q5249,
ZINC19845703,
AKOS000215179,
MCULE-4641243931,
NE23551,
Benzenamine, 4-[2-(trifluoromethyl)phenoxy]-,
EN300-56571,
Z1262237400,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.224g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number