| CAS Number | 1369813-97-7 |
| Catalog Number | AG00HURA |
| Chemical Name | 1-Chloro-2-fluoro-4-isopropoxybenzene |
| IUPAC Name | 1-chloro-2-fluoro-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10ClFO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,1-2H3 |
| InChI Key | BEQDPNHNBFWVGA-UHFFFAOYSA-N |
| MDL Number | MFCD23114126 |
| Molecular Formula | C9H10ClFO |
| Molecular Weight | 188.6265 |
| SMILES | C1(Cl)C=CC(OC(C)C)=CC=1F |
| Synonyms | 1-Chloro-2-fluoro-4-isopropoxybenzene,
1369813-97-7,
DTXSID80856562,
ZINC91675940,
AKOS021023652,
1-Chloro-2-fluoro-4-[(propan-2-yl)oxy]benzene,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number