| CAS Number | 1427432-33-4 |
| Catalog Number | AG01C46G |
| Chemical Name | [2-Bromo-5-(difluoromethoxy)phenyl]methanol |
| IUPAC Name | [2-bromo-5-(difluoromethoxy)phenyl]methanol |
| InChI | InChI=1S/C8H7BrF2O2/c9-7-2-1-6(13-8(10)11)3-5(7)4-12/h1-3,8,12H,4H2 |
| InChI Key | KDFBRFVSGDNGNI-UHFFFAOYSA-N |
| MDL Number | MFCD23711896 |
| Molecular Formula | C8H7BrF2O2 |
| Molecular Weight | 253.0408 |
| SMILES | OCC1=C(Br)C=CC(OC(F)F)=C1 |
| Synonyms | [2-bromo-5-(difluoromethoxy)phenyl]methanol,
1427432-33-4,
AKOS020167971,
ZINC128860891,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.043g/mol |
| Monoisotopic Mass | 251.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number