| CAS Number | 168897-65-2 |
| Catalog Number | AG01A7OK(AGN-PC-02BZJ0) |
| Chemical Name | 2-(3-Fluoro-4-nitrophenoxy)acetic acid |
| IUPAC Name | 2-(3-fluoro-4-nitrophenoxy)acetic acid |
| InChI | InChI=1S/C8H6FNO5/c9-6-3-5(15-4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12) |
| InChI Key | ITHOGDVBQQBPIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12174735 |
| Molecular Formula | C8H6FNO5 |
| Molecular Weight | 215.1353 |
| SMILES | OC(COC1=CC(F)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 2-(3-fluoro-4-nitrophenoxy)acetic acid,
168897-65-2,
AC1Q765B,
SCHEMBL6968807,
CTK7J5405,
ZINC35359202,
AKOS008132182,
MCULE-3880520043,
NE50168,
EN300-59376,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.136g/mol |
| Monoisotopic Mass | 215.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number