| CAS Number | 1804407-07-5 |
| Catalog Number | AG01BJIA |
| Chemical Name | 5-Bromo-2-methyl-3-(trifluoromethyl)benzenamine
|
| IUPAC Name | 5-bromo-2-methyl-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C8H7BrF3N/c1-4-6(8(10,11)12)2-5(9)3-7(4)13/h2-3H,13H2,1H3 |
| InChI Key | XDZUDCFTNIEMKJ-UHFFFAOYSA-N |
| MDL Number | MFCD28746066 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | C(F)(F)(F)c1c(C)c(N)cc(Br)c1 |
| Synonyms | 5-Bromo-2-methyl-3-(trifluoromethyl)aniline,
1804407-07-5,
|
| Complexity | 183 |
| 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 | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number