| CAS Number | 1192539-95-9 |
| Catalog Number | AG000P6M(AGN-PC-082MZ5) |
| Chemical Name | 4-Bromo-2-(trifluoromethyl)benzenemethanamine |
| IUPAC Name | [4-bromo-2-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C8H7BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2 |
| InChI Key | GOXRWAZJVIOPFT-UHFFFAOYSA-N |
| MDL Number | MFCD27923603 |
| Molecular Formula | C8H7BrF3N |
| Molecular Weight | 254.0471 |
| SMILES | C(F)(F)(F)c1c(CN)ccc(c1)Br |
| Synonyms | [4-bromo-2-(trifluoromethyl)phenyl]methanamine,
1192539-95-9,
(4-BROMO-2-(TRIFLUOROMETHYL)PHENYL)METHANAMINE,
AC1Q53R5,
SCHEMBL1823372,
GOXRWAZJVIOPFT-UHFFFAOYSA-N,
ZINC47843661,
AKOS017437636,
4-Bromo-2-(trifluoromethyl)benzylamine,
MCULE-5138195499,
NE22910,
NCGC00337317-01,
FT-0754976,
EN300-56065,
AB01329381-02,
Benzenemethanamine, 4-bromo-2-(trifluoromethyl)-,
Z992422568,
4-bromo-2-(trifluoromethyl)Benzenemethanamine,
|
| 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
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Certificate of Analysis
Lot Number