| CAS Number | 1426958-41-9 |
| Catalog Number | AG009WXH(AGN-PC-0WRA9U) |
| Chemical Name | 5-Bromo-2-methanesulfonylphenol |
| IUPAC Name | 5-bromo-2-methylsulfonylphenol |
| InChI | InChI=1S/C7H7BrO3S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4,9H,1H3 |
| InChI Key | UFEVSEZFMHCGKA-UHFFFAOYSA-N |
| MDL Number | MFCD23699518 |
| Molecular Formula | C7H7BrO3S |
| Molecular Weight | 251.0977 |
| SMILES | OC1=CC(Br)=CC=C1S(=O)(C)=O |
| Synonyms | 5-Bromo-2-methanesulfonylphenol,
1426958-41-9,
5-bromo-2-(methylsulfonyl)phenol,
SCHEMBL8112130,
5-bromo-2-methylsulfonyl-phenol,
UFEVSEZFMHCGKA-UHFFFAOYSA-N,
ZINC95496108,
V3220,
C7H7BrO3S,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.094g/mol |
| Monoisotopic Mass | 249.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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