| CAS Number | 97914-62-0 |
| Catalog Number | AG019GGM(AGN-PC-0KIBGP) |
| Chemical Name | 2,4-Bis-difluoromethoxy-benzoic acid |
| IUPAC Name | 2,4-bis(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C9H6F4O4/c10-8(11)16-4-1-2-5(7(14)15)6(3-4)17-9(12)13/h1-3,8-9H,(H,14,15) |
| InChI Key | VLDZTQGAMWSOHD-UHFFFAOYSA-N |
| MDL Number | MFCD06366761 |
| Molecular Formula | C9H6F4O4 |
| Molecular Weight | 254.1352 |
| SMILES | O=C(O)C1=CC=C(OC(F)F)C=C1OC(F)F |
| Synonyms | 2,4-bis(difluoromethoxy)benzoic Acid,
2,4-Bis-difluoromethoxy-benzoic acid,
97914-62-0,
AC1M98CP,
AC1Q72J1,
SCHEMBL17908054,
CTK8F3815,
ZINC3457859,
AKOS000121915,
MCULE-6650241274,
NE53821,
EN300-00129,
Z57046993,
CID2578204,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.137g/mol |
| Monoisotopic Mass | 254.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number