| CAS Number | 1000574-79-7 |
| Catalog Number | AG01F419(AGN-PC-3H490L) |
| Chemical Name | 2-Bromo-4-(difluoromethoxy)-benzenamine
2-Bromo-4-(difluoromethoxy)aniline |
| IUPAC Name | 2-bromo-4-(difluoromethoxy)aniline |
| InChI | InChI=1S/C7H6BrF2NO/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-3,7H,11H2 |
| InChI Key | QAIJRQYZGRRNFA-UHFFFAOYSA-N |
| MDL Number | MFCD09878206 |
| Molecular Formula | C7H6BrF2NO |
| Molecular Weight | 238.0294 |
| SMILES | BrC1=C(N)C=CC(=C1)OC(F)F |
| Synonyms | 2-Bromo-4-(difluoromethoxy)aniline,
1000574-79-7,
SCHEMBL1981296,
QAIJRQYZGRRNFA-UHFFFAOYSA-N,
ZINC15444632,
FCH1394720,
FS-4614,
2-Bromo-4-(difluoromethoxy)-benzenamine,
PC501710,
2-?Bromo-?4-?(difluoromethoxy)?-benzenamine,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.032g/mol |
| Monoisotopic Mass | 236.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number