4-Bromo-2-methanesulfonylphenol - CAS 88041-67-2
Catalog: |
BB055369 |
Product Name: |
4-Bromo-2-methanesulfonylphenol |
CAS: |
88041-67-2 |
Synonyms: |
4-Bromo-2-methanesulfonylphenol; 4-bromo-2-methylsulfonylphenol; Phenol, 4-bromo-2-(methylsulfonyl)-; 4-bromo-2-(methylsulfonyl)phenol; 4-Bromo-2-(methanesulfonyl)phenol |
IUPAC Name: | 4-bromo-2-methylsulfonylphenol |
Description: | 4-Bromo-2-methanesulfonylphenol |
Molecular Weight: | 251.1 |
Molecular Formula: | C7H7BrO3S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C7H7BrO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3 |
InChI Key: | NUPADVWWKRDWOA-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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