| CAS Number | 366-56-3 |
| Catalog Number | AG00I795(AGN-PC-0WQVLP) |
| Chemical Name | 2-(2,5-Difluorophenoxy)acetic acid |
| IUPAC Name | 2-(2,5-difluorophenoxy)acetic acid |
| InChI | InChI=1S/C8H6F2O3/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | NLVMDNXMYYNPTJ-UHFFFAOYSA-N |
| MDL Number | MFCD06823826 |
| Molecular Formula | C8H6F2O3 |
| Molecular Weight | 188.1282 |
| SMILES | FC1=C(OCC(=O)O)C=C(C=C1)F |
| Synonyms | 2-(2,5-difluorophenoxy)acetic acid,
366-56-3,
AC1Q764T,
MFCD06823826,
ZINC57218732,
2-(2,5-Difluorophenoxy)-acetic acid,
AKOS012572747,
MCULE-7325272078,
NE52800,
CS-0037356,
EN300-70349,
J-505489,
Z1259273099,
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| Complexity | 186 |
| 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 | 1.5 |
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Certificate of Analysis
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