| CAS Number | 1257535-31-1 |
| Catalog Number | AG00A2RJ |
| Chemical Name | 2-Amino-5-bromo-3-(trifluoromethoxy)nitrobenzene, 2-Amino-5-bromo-3-nitro-alpha,alpha,alpha-trifluoroanisole |
| IUPAC Name | 4-bromo-2-nitro-6-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H4BrF3N2O3/c8-3-1-4(13(14)15)6(12)5(2-3)16-7(9,10)11/h1-2H,12H2 |
| InChI Key | DKXIIWNBIVXFTO-UHFFFAOYSA-N |
| MDL Number | MFCD16628052 |
| Molecular Formula | C7H4BrF3N2O3 |
| Molecular Weight | 301.0175 |
| SMILES | C1=C(C=C(C(=C1OC(F)(F)F)N)[N+](=O)[O-])Br |
| Synonyms | 4-Bromo-2-nitro-6-(trifluoromethoxy)aniline,
1257535-31-1,
SCHEMBL15552078,
DTXSID10679882,
DKXIIWNBIVXFTO-UHFFFAOYSA-N,
ZX-AP002394,
MFCD16628052,
PC8373,
ZINC71790243,
PS-10447,
K-1904,
2-Amino-5-bromo-3-(trifluoromethoxy)nitrobenzene,
Benzenamine, 4-bromo-2-nitro-6-(trifluoromethoxy)-,
2-Amino-5-bromo-3-nitro-alpha,alpha,alpha-trifluoroanisole,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.019g/mol |
| Monoisotopic Mass | 299.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number