| CAS Number | 42265-69-0 |
| Catalog Number | AG01BBFF |
| Chemical Name | 4-Chloro-N-methyl-3-(trifluoromethyl)aniline |
| IUPAC Name | 4-chloro-N-methyl-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C8H7ClF3N/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3 |
| InChI Key | JROALZWBRUFSCN-UHFFFAOYSA-N |
| MDL Number | MFCD11132239 |
| Molecular Formula | C8H7ClF3N |
| Molecular Weight | 209.5961 |
| SMILES | CNC1=CC(C(F)(F)F)=C(Cl)C=C1 |
| Synonyms | 4-Chloro-N-methyl-3-(trifluoromethyl)aniline,
42265-69-0,
SCHEMBL6153068,
MFCD11132239,
ZINC32012320,
AKOS009052399,
(4-Chloro-3-trifluoromethyl-phenyl)-methyl-amine,
n-[4-chloro-3-(trifluoromethyl)phenyl]-n-methylamine,
Z1403322959,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.596g/mol |
| Monoisotopic Mass | 209.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number