| CAS Number | 1215206-76-0 |
| Catalog Number | AG001589(AGN-PC-0WA6BO) |
| Chemical Name | 2-Bromo-N-methyl-5-(trifluoromethoxy)aniline, HCl |
| IUPAC Name | 2-bromo-N-methyl-5-(trifluoromethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C8H7BrF3NO.ClH/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12;/h2-4,13H,1H3;1H |
| InChI Key | BXTPTZKPUINLLO-UHFFFAOYSA-N |
| MDL Number | MFCD15143545 |
| Molecular Formula | C8H8BrClF3NO |
| Molecular Weight | 306.5074 |
| SMILES | CNc1cc(ccc1Br)OC(F)(F)F.Cl |
| Synonyms | 1215206-76-0,
2-Bromo-N-methyl-5-(trifluoromethoxy)aniline hydrochloride,
2-Bromo-N-methyl-5-(trifluoromethoxy)aniline, HCl,
C8H7BrF3NO.HCl,
DTXSID70681966,
MFCD15143545,
AKOS015908445,
AX8255851,
Z8415,
A-5496,
2-Bromo-N-methyl-5-(trifluoromethoxy)aniline HCl,
I14-24546,
2-Bromo-N-methyl-5-(trifluoromethoxy)aniline--hydrogen chloride (1/1),
Benzenamine, 2-bromo-N-methyl-5-(trifluoromethoxy)-, hydrochloride (1:1),
BXTPTZKPUINLLO-UHFFFAOYSA-N,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.507g/mol |
| Monoisotopic Mass | 304.943g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number