| CAS Number | 1309933-61-6 |
| Catalog Number | AG00HSB9 |
| Chemical Name | 1-Bromo-3-fluoro-5-isopropoxybenzene |
| IUPAC Name | 1-bromo-3-fluoro-5-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10BrFO/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3 |
| InChI Key | CXPGTGGYDNGRCO-UHFFFAOYSA-N |
| MDL Number | MFCD18917875 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | BrC1=CC(=CC(=C1)OC(C)C)F |
| Synonyms | 1309933-61-6,
1-bromo-3-fluoro-5-(propan-2-yloxy)benzene,
1-Bromo-3-fluoro-5-isopropoxybenzene,
MFCD18917875,
ZINC72204550,
AKOS017549229,
Z0051,
Q-7238,
C9H10BrFO,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.08g/mol |
| Monoisotopic Mass | 231.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number