| CAS Number | 771582-26-4 |
| Catalog Number | AG01BOBZ(AGN-PC-0WCWU3) |
| Chemical Name | (2-Bromo-5-(trifluoromethyl)phenyl)methanamine |
| IUPAC Name | [2-bromo-5-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C8H7BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2 |
| InChI Key | SYZGXVJQDWMJCI-UHFFFAOYSA-N |
| MDL Number | MFCD06213039 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | NCC1=C(Br)C=CC(C(F)(F)F)=C1 |
| Synonyms | 771582-26-4,
(2-Bromo-5-(trifluoromethyl)phenyl)methanamine,
2-BROMO-5-(TRIFLUOROMETHYL)BENZYLAMINE,
2-Bromo-5-trifluoromethylbenzylamine,
[2-bromo-5-(trifluoromethyl)phenyl]methanamine,
SCHEMBL12708057,
ZINC37594090,
2-Bromo-5-trifluoromethyl-benzylamine,
AKOS017560261,
SC-33634,
Benzenemethanamine, 2-bromo-5-(trifluoromethyl)-,
A1-03889,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.05g/mol |
| Monoisotopic Mass | 252.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number