5-Bromo-2-methanesulfonylphenol - CAS 1426958-41-9
Catalog: |
BB071406 |
Product Name: |
5-Bromo-2-methanesulfonylphenol |
CAS: |
1426958-41-9 |
Synonyms: |
5-Bromo-2-methanesulfonylphenol; 5-bromo-2-methylsulfonylphenol; 5-bromo-2-(methylsulfonyl)phenol; 5-bromo-2-methylsulfonyl-phenol |
IUPAC Name: | 5-bromo-2-methylsulfonylphenol |
Description: | 5-Bromo-2-methanesulfonylphenol |
Molecular Weight: | 251.09 |
Molecular Formula: | C7H7BrO3S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)Br)O |
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 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.92993 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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