| CAS Number | 1190198-31-2 |
| Catalog Number | AG00IM6X(AGN-PC-0WB0M3) |
| Chemical Name | 2-Bromo-4-nitro-5-(trifluoromethyl)aniline |
| IUPAC Name | 2-bromo-4-nitro-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4BrF3N2O2/c8-4-2-6(13(14)15)3(1-5(4)12)7(9,10)11/h1-2H,12H2 |
| InChI Key | JKBIJDHHUDCWQW-UHFFFAOYSA-N |
| MDL Number | MFCD12922693 |
| Molecular Formula | C7H4BrF3N2O2 |
| Molecular Weight | 285.0181 |
| SMILES | BrC1=C(C=C(C(=C1)[N+](=O)[O-])C(F)(F)F)N |
| Synonyms | 2-bromo-4-nitro-5-(trifluoromethyl)aniline,
1190198-31-2,
CTK5I6192,
MFCD12922693,
ZINC40564612,
AKOS005073246,
KD-0061,
MCULE-4758585863,
RP15627,
KS-000027B7,
SC-44809,
AJ-103483,
TR-065599,
CS-0030455,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.02g/mol |
| Monoisotopic Mass | 283.941g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number