| CAS Number | 1314987-28-4 |
| Catalog Number | AG000WBY(AGN-PC-0WAA47) |
| Chemical Name | 4-Bromo-5-Fluoro-N-Isopropyl-2-Nitroaniline |
| IUPAC Name | 4-bromo-5-fluoro-2-nitro-N-propan-2-ylaniline |
| InChI | InChI=1S/C9H10BrFN2O2/c1-5(2)12-8-4-7(11)6(10)3-9(8)13(14)15/h3-5,12H,1-2H3 |
| InChI Key | BPXMIORTUXUUGS-UHFFFAOYSA-N |
| MDL Number | MFCD19684090 |
| Molecular Formula | C9H10BrFN2O2 |
| Molecular Weight | 277.0903 |
| SMILES | CC(Nc1cc(F)c(cc1[N+](=O)[O-])Br)C |
| Synonyms | 4-Bromo-5-fluoro-N-isopropyl-2-nitroaniline,
1314987-28-4,
ACMC-209bma,
CTK8B0107,
DTXSID30716667,
ANW-19328,
MFCD19684090,
ZINC74937716,
AKOS015156329,
QC-7892,
AJ-121417,
AX8229536,
TC-108073,
ST24023378,
Z9594,
B-7096,
4-Bromo-5-fluoro-2-nitro-N-(propan-2-yl)aniline,
I14-24789,
Benzenamine, 4-bromo-5-fluoro-N-(1-methylethyl)-2-nitro-,
C9H10BrFN2O2,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.093g/mol |
| Monoisotopic Mass | 275.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number