| CAS Number | 543683-36-9 |
| Catalog Number | AG00DLXT(AGN-PC-0ILZE5) |
| Chemical Name | (2,6-Difluoro-4-nitrophenyl)acetic acid |
| IUPAC Name | 2-(2,6-difluoro-4-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H5F2NO4/c9-6-1-4(11(14)15)2-7(10)5(6)3-8(12)13/h1-2H,3H2,(H,12,13) |
| InChI Key | MDMRXAYFALTPII-UHFFFAOYSA-N |
| MDL Number | MFCD11036397 |
| Molecular Formula | C8H5F2NO4 |
| Molecular Weight | 217.1264 |
| SMILES | OC(CC1=C(F)C=C([N+]([O-])=O)C=C1F)=O |
| Synonyms | 2-(2,6-difluoro-4-nitrophenyl)acetic acid,
543683-36-9,
(2,6-DIfluoro-4-nitrophenyl)acetic acid,
Benzeneacetic acid, 2,6-difluoro-4-nitro-,
SCHEMBL6607355,
MDMRXAYFALTPII-UHFFFAOYSA-N,
2,6-difluoro-4-nitrophenylacetic acid,
ZINC166598610,
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| Complexity | 256 |
| 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 |
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Certificate of Analysis
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