| CAS Number | 1258650-63-3 |
| Catalog Number | AG01AKD4 |
| Chemical Name | 5-Bromo-2-(difluoromethoxy)aniline |
| IUPAC Name | 5-bromo-2-(difluoromethoxy)aniline |
| InChI | InChI=1S/C7H6BrF2NO/c8-4-1-2-6(5(11)3-4)12-7(9)10/h1-3,7H,11H2 |
| InChI Key | UMLLZNUIVKDJHI-UHFFFAOYSA-N |
| MDL Number | MFCD15526767 |
| Molecular Formula | C7H6BrF2NO |
| Molecular Weight | 238.0294 |
| SMILES | NC1=C(OC(F)F)C=CC(Br)=C1 |
| Synonyms | 5-bromo-2-(difluoromethoxy)aniline,
1258650-63-3,
AC1Q517B,
MFCD15526767,
ZINC57218986,
AKOS012897368,
SC-34037,
EN300-83754,
|
| 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