| CAS Number | 1369842-02-3 |
| Catalog Number | AG01FDW1(AGN-PC-3H4A09) |
| Chemical Name | 4-Chloro-1-fluoro-2-isopropoxybenzene |
| IUPAC Name | 4-chloro-1-fluoro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10ClFO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3 |
| InChI Key | SSPBUPYHTVNSEI-UHFFFAOYSA-N |
| MDL Number | MFCD23114125 |
| Molecular Formula | C9H10ClFO |
| Molecular Weight | 188.6265 |
| SMILES | c1(ccc(c(c1)OC(C)C)F)Cl |
| Synonyms | 5-Chloro-2-fluoro isopropoxybenzene,
1369842-02-3,
4-Chloro-1-fluoro-2-isopropoxybenzene,
ZINC98214283,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.626g/mol |
| Monoisotopic Mass | 188.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number