| CAS Number | 2055119-17-8 |
| Catalog Number | AG00I3WS(AGN-PC-0WQZXA) |
| Chemical Name | 2-Amino-4,5,6-trifluoro-3-hydroxybenzoic acid |
| IUPAC Name | 2-amino-4,5,6-trifluoro-3-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4F3NO3/c8-2-1(7(13)14)5(11)6(12)4(10)3(2)9/h12H,11H2,(H,13,14) |
| InChI Key | KBHGQKXHMHYCSF-UHFFFAOYSA-N |
| MDL Number | MFCD30527666 |
| Molecular Formula | C7H4F3NO3 |
| Molecular Weight | 207.1068 |
| SMILES | Oc1c(N)c(C(=O)O)c(c(c1F)F)F |
| Synonyms | 2-Amino-4,5,6-trifluoro-3-hydroxybenzoic acid,
2055119-17-8,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.108g/mol |
| Monoisotopic Mass | 207.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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