| CAS Number | 1369849-69-3 |
| Catalog Number | AG01ETG1(AGN-PC-3H47FE) |
| Chemical Name | 1,3-Difluoro-5-isopropoxybenzene |
| IUPAC Name | 1,3-difluoro-5-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10F2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3 |
| InChI Key | NZJBBOZQUNQHHD-UHFFFAOYSA-N |
| MDL Number | MFCD28363314 |
| Molecular Formula | C9H10F2O |
| Molecular Weight | 172.1719 |
| SMILES | c1(cc(cc(c1)OC(C)C)F)F |
| Synonyms | 1,3-difluoro-5-isopropoxybenzene,
1369849-69-3,
SCHEMBL11916157,
NZJBBOZQUNQHHD-UHFFFAOYSA-N,
MFCD28363314,
AKOS034830277,
ZINC148683697,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.175g/mol |
| Monoisotopic Mass | 172.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number