| CAS Number | 1350117-42-8 |
| Catalog Number | AG01ELC6 |
| Chemical Name | 3-Bromo-5-fluoro-2-nitroaniline |
| IUPAC Name | 3-bromo-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(9)6(4)10(11)12/h1-2H,9H2 |
| InChI Key | RHGCDUVIDSBKQN-UHFFFAOYSA-N |
| MDL Number | MFCD28739824 |
| Molecular Formula | C6H4BrFN2O2 |
| Molecular Weight | 235.0106 |
| SMILES | NC1=C([N+]([O-])=O)C(Br)=CC(F)=C1 |
| Synonyms | 3-bromo-5-fluoro-2-nitroaniline,
1350117-42-8,
SCHEMBL9000092,
MFCD28739824,
ZINC167332500,
FCH4109043,
PC501917,
PS-10595,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.012g/mol |
| Monoisotopic Mass | 233.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number