| CAS Number | 361336-78-9 |
| Catalog Number | AG007BDG(AGN-PC-00FSXX) |
| Chemical Name | 2-(2,6-difluoro-3-nitrophenyl)acetic Acid |
| IUPAC Name | 2-(2,6-difluoro-3-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
| InChI Key | GHFAYUZPPYDFBK-UHFFFAOYSA-N |
| MDL Number | MFCD08236851 |
| Molecular Formula | C8H5F2NO4 |
| Molecular Weight | 217.1264 |
| SMILES | OC(CC1=C(F)C([N+]([O-])=O)=CC=C1F)=O |
| Synonyms | 2-(2,6-DIFLUORO-3-NITROPHENYL)ACETIC ACID,
361336-78-9,
(2,6-difluoro-3-nitrophenyl)acetic acid,
SCHEMBL6583252,
CTK4H5942,
DTXSID00472182,
MFCD08236851,
ZINC36420915,
2,6-difluoro-3-nitrophenylacetic acid,
AKOS027379188,
AB44173,
CS-W000528,
ACM361336789,
PC500341,
CID11769900,
2-(2,6-difluoro-3-nitro-phenyl)acetic Acid,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.128g/mol |
| Monoisotopic Mass | 217.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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