| CAS Number | 944805-22-5 |
| Catalog Number | AG00II7J(AGN-PC-0WRA7M) |
| Chemical Name | 5-Bromo-4-Fluoro-2-Nitrophenol |
| IUPAC Name | 5-bromo-4-fluoro-2-nitrophenol |
| InChI | InChI=1S/C6H3BrFNO3/c7-3-1-6(10)5(9(11)12)2-4(3)8/h1-2,10H |
| InChI Key | RYSFWISANLBRRZ-UHFFFAOYSA-N |
| MDL Number | MFCD27664887 |
| Molecular Formula | C6H3BrFNO3 |
| Molecular Weight | 235.9953 |
| SMILES | O=[N+](C1=CC(F)=C(Br)C=C1O)[O-] |
| Synonyms | 5-bromo-4-fluoro-2-nitrophenol,
944805-22-5,
Phenol, 5-bromo-4-fluoro-2-nitro-,
SCHEMBL4297784,
RYSFWISANLBRRZ-UHFFFAOYSA-N,
ZINC148709637,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.996g/mol |
| Monoisotopic Mass | 234.928g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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