| CAS Number | 1136961-91-5 |
| Catalog Number | AG0090DO(AGN-PC-0WAOY0) |
| Chemical Name | 1-Chloro-2-(difluoromethoxy)-3-fluorobenzene |
| IUPAC Name | 1-chloro-2-(difluoromethoxy)-3-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3O/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3,7H |
| InChI Key | INHVSFGPYWTLQL-UHFFFAOYSA-N |
| MDL Number | MFCD22580772 |
| Molecular Formula | C7H4ClF3O |
| Molecular Weight | 196.5543 |
| SMILES | ClC1=CC=CC(=C1OC(F)F)F |
| Synonyms | 1-chloro-2-(difluoromethoxy)-3-fluorobenzene,
1136961-91-5,
SCHEMBL1918390,
INHVSFGPYWTLQL-UHFFFAOYSA-N,
BBL102128,
MFCD22580772,
STL555927,
ZINC84845387,
AKOS016016110,
FCH2294298,
AS-48136,
PC302418,
1-Chloro-2-difluoromethoxy-3-fluorobenzene,
1-Chloro-2-(difluoromethoxy)-3-fluoro-benzene,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.553g/mol |
| Monoisotopic Mass | 195.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number