| CAS Number | 1807144-55-3 |
| Catalog Number | AG00I068(AGN-PC-0WR8N4) |
| Chemical Name | 5-bromo-2-fluoro-3-hydroxybenzoic acid |
| IUPAC Name | 5-bromo-2-fluoro-3-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4BrFO3/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2,10H,(H,11,12) |
| InChI Key | RHANSFOBTGNDQC-UHFFFAOYSA-N |
| MDL Number | MFCD28738981 |
| Molecular Formula | C7H4BrFO3 |
| Molecular Weight | 235.0073 |
| SMILES | Brc1cc(O)c(c(c1)C(=O)O)F |
| Synonyms | 5-bromo-2-fluoro-3-hydroxybenzoic acid,
1807144-55-3,
ZINC261494161,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.008g/mol |
| Monoisotopic Mass | 233.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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