| CAS Number | 1423034-01-8 |
| Catalog Number | AG01A3EZ |
| Chemical Name | 4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline hydrochloride |
| IUPAC Name | 4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline;hydrochloride |
| InChI | InChI=1S/C14H11BrF3N.ClH/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(16,17)18;/h1-8,19H,9H2;1H |
| InChI Key | VVOXJAAUEOOVQP-UHFFFAOYSA-N |
| MDL Number | MFCD22741258 |
| Molecular Formula | C14H12BrClF3N |
| Molecular Weight | 366.6040 |
| SMILES | Cl.FC(C1=CC=C(CNC2=CC=C(Br)C=C2)C=C1)(F)F |
| Synonyms | 4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline hydrochloride,
1423034-01-8,
MCULE-6890070775,
NE47025,
Z1569709188,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.606g/mol |
| Monoisotopic Mass | 364.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number