| CAS Number | 87967-37-1 |
| Catalog Number | AG008BVS(AGN-PC-0JE5IF) |
| Chemical Name | 4-Bromo-3-(difluoromethoxy)aniline |
| IUPAC Name | 4-bromo-3-(difluoromethoxy)aniline |
| InChI | InChI=1S/C7H6BrF2NO/c8-5-2-1-4(11)3-6(5)12-7(9)10/h1-3,7H,11H2 |
| InChI Key | YDNMEBRTPBTYIQ-UHFFFAOYSA-N |
| MDL Number | MFCD18390862 |
| Molecular Formula | C7H6BrF2NO |
| Molecular Weight | 238.0294 |
| SMILES | BrC1=C(C=C(N)C=C1)OC(F)F |
| Synonyms | 4-Bromo-3-(difluoromethoxy)aniline,
87967-37-1,
BBV-40245623,
PC501694,
A1-06234,
Benzenamine, 4-bromo-3-(difluoromethoxy)-,
SCHEMBL16899381,
CTK3C0638,
DTXSID70831282,
MFCD18390862,
ZINC95630907,
AKOS027265380,
FCH1369516,
|
| 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