| CAS Number | 883864-63-9 |
| Catalog Number | AG01C20C(AGN-PC-0CV9TH) |
| Chemical Name | Methyl 3-fluoro-4-hydrazinylbenzoate |
| IUPAC Name | methyl 3-fluoro-4-hydrazinylbenzoate |
| InChI | InChI=1S/C8H9FN2O2/c1-13-8(12)5-2-3-7(11-10)6(9)4-5/h2-4,11H,10H2,1H3 |
| InChI Key | APIBZEJFAHRPHL-UHFFFAOYSA-N |
| MDL Number | MFCD22565075 |
| Molecular Formula | C8H9FN2O2 |
| Molecular Weight | 184.1677 |
| SMILES | COC(C1=CC(F)=C(NN)C=C1)=O |
| Synonyms | methyl 3-fluoro-4-hydrazinylbenzoate,
883864-63-9,
SCHEMBL3276783,
ZINC150295370,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.17g/mol |
| Monoisotopic Mass | 184.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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