| CAS Number | 1373920-87-6 |
| Catalog Number | AG009INK(AGN-PC-0WAOWS) |
| Chemical Name | (2-Methyl-5-(trifluoromethoxy)phenyl)methanamine |
| IUPAC Name | [2-methyl-5-(trifluoromethoxy)phenyl]methanamine |
| InChI | InChI=1S/C9H10F3NO/c1-6-2-3-8(4-7(6)5-13)14-9(10,11)12/h2-4H,5,13H2,1H3 |
| InChI Key | HUHITEUBBNSNER-UHFFFAOYSA-N |
| MDL Number | MFCD22201056 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | FC(F)(F)OC1(=CC(=C(C)C=C1)CN) |
| Synonyms | 2-Methyl-5-(trifluoromethoxy)benzylamine,
1373920-87-6,
MFCD22201056,
(2-Methyl-5-(trifluoromethoxy)phenyl)methanamine,
[2-methyl-5-(trifluoromethoxy)phenyl]methanamine,
SCHEMBL18927013,
KS-00002BL6,
ZINC91252345,
AKOS025212952,
FCH2302247,
PC302081,
TS-02916,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number