| CAS Number | 936939-69-4 |
| Catalog Number | AG01DI1W(AGN-PC-09RZVC) |
| Chemical Name | Methyl 4,5-diamino-2-fluorobenzoate |
| IUPAC Name | methyl 4,5-diamino-2-fluorobenzoate |
| InChI | InChI=1S/C8H9FN2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,10-11H2,1H3 |
| InChI Key | FADJCISTXVQLMQ-UHFFFAOYSA-N |
| MDL Number | MFCD16036715 |
| Molecular Formula | C8H9FN2O2 |
| Molecular Weight | 184.1677 |
| SMILES | COC(=O)c1cc(N)c(cc1F)N |
| Synonyms | METHYL 4,5-DIAMINO-2-FLUOROBENZOATE,
936939-69-4,
SCHEMBL1509484,
FADJCISTXVQLMQ-UHFFFAOYSA-N,
AKOS030627342,
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| Complexity | 201 |
| 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 | 2 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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