| CAS Number | 1187386-33-9 |
| Catalog Number | AG0075K0(AGN-PC-0WAEMG) |
| Chemical Name | N-Methyl 2-bromo-5-(trifluoromethyl)aniline, HCl |
| IUPAC Name | 2-bromo-N-methyl-5-(trifluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C8H7BrF3N.ClH/c1-13-7-4-5(8(10,11)12)2-3-6(7)9;/h2-4,13H,1H3;1H |
| InChI Key | ZRYZQFUHSMTCDR-UHFFFAOYSA-N |
| MDL Number | MFCD12913959 |
| Molecular Formula | C8H8BrClF3N |
| Molecular Weight | 290.5080 |
| SMILES | FC(C1=CC=C(Br)C(NC)=C1)(F)F.[H]Cl |
| Synonyms | 1187386-33-9,
2-Bromo-N-methyl-5-(trifluoromethyl)aniline hydrochloride,
N-Methyl 2-bromo-5-(trifluoromethyl)aniline, HCl,
2-Bromo-N-methyl-5-(trifluoromethyl)-aniline hydrochloride,
CTK8B6783,
DTXSID80675179,
ANW-54342,
MFCD12913959,
AKOS015908387,
AX8229620,
ST2404274,
TR-034300,
Z8012,
A-5314,
N-Methyl 2-bromo-5-(trifluoromethyl)aniline HCl,
I14-24537,
N-methyl-2-bromo-5-(trifluoromethyl)aniline hydrochloride,
2-Bromo-N-methyl-5-(trifluoromethyl)aniline--hydrogen chloride (1/1),
C8H7BrF3N.HCl,
2-Bromo-N-methyl-5-(trifluoromethyl)anilinehydrochloride,
|
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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