| CAS Number | 1342005-84-8 |
| Catalog Number | AG01AP2I |
| Chemical Name | [3-Bromo-4-(difluoromethoxy)phenyl]methanol |
| IUPAC Name | [3-bromo-4-(difluoromethoxy)phenyl]methanol |
| InChI | InChI=1S/C8H7BrF2O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8,12H,4H2 |
| InChI Key | TUSMUJDVUFZEJK-UHFFFAOYSA-N |
| MDL Number | MFCD17284359 |
| Molecular Formula | C8H7BrF2O2 |
| Molecular Weight | 253.0408 |
| SMILES | OCC1=CC(Br)=C(OC(F)F)C=C1 |
| Synonyms | [3-bromo-4-(difluoromethoxy)phenyl]methanol,
1342005-84-8,
(3-bromo-4-(difluoromethoxy)phenyl)methanol,
SCHEMBL16958146,
ZINC62703178,
AKOS012349947,
AS-43758,
Z2234631226,
|
| 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 |
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Certificate of Analysis
Lot Number