| CAS Number | 1192829-74-5 |
| Catalog Number | AG01BUSY |
| Chemical Name | 3-chloro-4-(difluoromethoxy)benzoic acid |
| IUPAC Name | 3-chloro-4-(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5ClF2O3/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H,12,13) |
| InChI Key | SLPNPJPSQCADEB-UHFFFAOYSA-N |
| MDL Number | MFCD14652989 |
| Molecular Formula | C8H5ClF2O3 |
| Molecular Weight | 222.5733 |
| SMILES | ClC=1C=C(C(=O)O)C=CC1OC(F)F |
| Synonyms | 3-chloro-4-(difluoromethoxy)benzoic acid,
1192829-74-5,
SCHEMBL1014876,
SLPNPJPSQCADEB-UHFFFAOYSA-N,
ZINC42393261,
AKOS010637252,
AS-44140,
3-Chloro-4-[(difluoromethyl)oxy]benzoic acid,
A1-07162,
Z2798559678,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.572g/mol |
| Monoisotopic Mass | 221.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number