| CAS Number | 1805589-29-0 |
| Catalog Number | AG00223E(AGN-PC-0WCYGK) |
| Chemical Name | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy- |
| IUPAC Name | 4-bromo-2-fluoro-6-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4BrFO3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12) |
| InChI Key | UVBFBKRMQUEMBG-UHFFFAOYSA-N |
| MDL Number | MFCD28738979 |
| Molecular Formula | C7H4BrFO3 |
| Molecular Weight | 235.0073 |
| SMILES | O=C(O)C1=C(O)C=C(Br)C=C1F |
| Synonyms | 4-Bromo-2-fluoro-6-hydroxybenzoic acid,
1805589-29-0,
AKOS027301992,
ZINC299890148,
FCH4100681,
AX8275309,
Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-,
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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 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number