| CAS Number | 790270-78-9 |
| Catalog Number | AG019JR7 |
| Chemical Name | 3,5-dichloro-2-(difluoromethoxy)benzoic Acid |
| IUPAC Name | 3,5-dichloro-2-(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H4Cl2F2O3/c9-3-1-4(7(13)14)6(5(10)2-3)15-8(11)12/h1-2,8H,(H,13,14) |
| InChI Key | MJFYTVSXNGKBPI-UHFFFAOYSA-N |
| MDL Number | MFCD06357830 |
| Molecular Formula | C8H4Cl2F2O3 |
| Molecular Weight | 257.0184 |
| SMILES | OC(C1=C(OC(F)F)C(Cl)=CC(Cl)=C1)=O |
| Synonyms | 3,5-dichloro-2-(difluoromethoxy)benzoic Acid,
790270-78-9,
AC1M8FXK,
AC1Q72J0,
CTK7B7266,
ZINC3394060,
AKOS000117871,
MCULE-9986591538,
NE60154,
EN300-10176,
SR-01000058747,
SR-01000058747-1,
Z56347195,
CID2512465,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.014g/mol |
| Monoisotopic Mass | 255.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number