| CAS Number | 192069-88-8 |
| Catalog Number | AG019SMT(AGN-PC-013M9R) |
| Chemical Name | 4-(Difluoromethoxy)-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-(difluoromethoxy)-3,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C10H10F2O5/c1-15-6-3-5(9(13)14)4-7(16-2)8(6)17-10(11)12/h3-4,10H,1-2H3,(H,13,14) |
| InChI Key | KOBKEANPKHAIPC-UHFFFAOYSA-N |
| MDL Number | MFCD07364070 |
| Molecular Formula | C10H10F2O5 |
| Molecular Weight | 248.1802 |
| SMILES | COC1=C(OC(F)F)C(OC)=CC(C(O)=O)=C1 |
| Synonyms | 4-(difluoromethoxy)-3,5-dimethoxybenzoic acid,
192069-88-8,
SCHEMBL8350902,
SBB039949,
ZINC35663130,
AKOS000271243,
MCULE-4101969971,
NE13597,
EN300-94338,
Z1270207978,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.182g/mol |
| Monoisotopic Mass | 248.05g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number