| CAS Number | 1214372-39-0 |
| Catalog Number | AG009J1A |
| Chemical Name | (4-Bromo-2-(trifluoromethyl)phenyl)methanamine hydrochloride |
| IUPAC Name | [4-bromo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C8H7BrF3N.ClH/c9-6-2-1-5(4-13)7(3-6)8(10,11)12;/h1-3H,4,13H2;1H |
| InChI Key | JEOFXWFFVWAIHC-UHFFFAOYSA-N |
| MDL Number | MFCD11520405 |
| Molecular Formula | C8H8BrClF3N |
| Molecular Weight | 290.5080 |
| SMILES | Cl.NCC1=C(C(F)(F)F)C=C(Br)C=C1 |
| Synonyms | 1214372-39-0,
(4-Bromo-2-(trifluoromethyl)phenyl)methanamine hydrochloride,
4-bromo-2-(trifluoromethyl)benzylamine hydrochloride,
SCHEMBL1818118,
(4-BROMO-2-(TRIFLUOROMETHYL)PHENYL)METHANAMINE,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.508g/mol |
| Monoisotopic Mass | 288.948g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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