| CAS Number | 1221725-70-7 |
| Catalog Number | AG01A7Q2 |
| Chemical Name | 1-[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine hydrochloride |
| IUPAC Name | [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C14H10F5NO.ClH/c15-12-4-3-10(6-13(12)16)21-9-2-1-8(7-20)11(5-9)14(17,18)19;/h1-6H,7,20H2;1H |
| InChI Key | AELMIEIGACJDMX-UHFFFAOYSA-N |
| MDL Number | MFCD15209548 |
| Molecular Formula | C14H11ClF5NO |
| Molecular Weight | 339.6883 |
| SMILES | Cl.NCC1=C(C(F)(F)F)C=C(OC2=CC(F)=C(F)C=C2)C=C1 |
| Synonyms | [4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine hydrochloride,
1221725-70-7,
AC1Q3D5R,
CHEMBL3498056,
AKOS008135293,
MCULE-6054452841,
NE24969,
EN300-59492,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.69g/mol |
| Monoisotopic Mass | 339.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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