| CAS Number | 370-02-5 |
| Catalog Number | AG01BBXT(AGN-PC-0JWJ39) |
| Chemical Name | 2-(3,5-Difluorophenoxy)acetic acid |
| IUPAC Name | 2-(3,5-difluorophenoxy)acetic acid |
| InChI | InChI=1S/C8H6F2O3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | DAKQOKIYIPBOHY-UHFFFAOYSA-N |
| MDL Number | MFCD03426547 |
| Molecular Formula | C8H6F2O3 |
| Molecular Weight | 188.1282 |
| SMILES | FC=1C=C(OCC(=O)O)C=C(C1)F |
| Synonyms | 2-(3,5-difluorophenoxy)acetic acid,
370-02-5,
3,5-difluorophenoxyacetic acid,
AC1LGD3I,
SCHEMBL4739457,
CTK7J5399,
(3,5-difluorophenoxy)acetic acid,
ZINC334840,
SBB090695,
AKOS012078181,
Z2146515036,
CID819292,
AJ-087/25124025,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.13g/mol |
| Monoisotopic Mass | 188.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number