| CAS Number | 1121583-51-4 |
| Catalog Number | AG008ULD(AGN-PC-0WRA2Z) |
| Chemical Name | 3,4-Difluoro-5-Nitro Benzoic Acid |
| IUPAC Name | 3,4-difluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12) |
| InChI Key | QEGLWOZIWGKZJI-UHFFFAOYSA-N |
| MDL Number | MFCD15144672 |
| Molecular Formula | C7H3F2NO4 |
| Molecular Weight | 203.0998 |
| SMILES | C1(C=C([N+]([O-])=O)C(F)=C(F)C=1)C(=O)O |
| Synonyms | 3,4-difluoro-5-nitrobenzoic acid,
1121583-51-4,
3,4-Difluoro-5-Nitro Benzoic Acid,
MFCD15144672,
ZINC37594078,
FCH1388591,
DB-060170,
FT-0746537,
K-0943,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.101g/mol |
| Monoisotopic Mass | 203.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number