| CAS Number | 1027512-91-9 |
| Catalog Number | AG008XMY(AGN-PC-0WRA3B) |
| Chemical Name | 2-Amino-3,5-dibromo-4-fluorobenzoic acid |
| IUPAC Name | 2-amino-3,5-dibromo-4-fluorobenzoic acid |
| InChI | InChI=1S/C7H4Br2FNO2/c8-3-1-2(7(12)13)6(11)4(9)5(3)10/h1H,11H2,(H,12,13) |
| InChI Key | FCDUVODEYZAMHX-UHFFFAOYSA-N |
| MDL Number | MFCD09800711 |
| Molecular Formula | C7H4Br2FNO2 |
| Molecular Weight | 312.9186 |
| SMILES | OC(=O)c1cc(Br)c(c(c1N)Br)F |
| Synonyms | 2-amino-3,5-dibromo-4-fluorobenzoic acid,
1027512-91-9,
2-Amino-3,5-dibromo-4-fluorobenzoicacid,
C7H4Br2FNO2,
ZINC31829460,
Z6555,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.857g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.92g/mol |
| Monoisotopic Mass | 310.859g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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