1-Bromo-4-(propane-1-sulfonyl)benzene - CAS 223557-20-8
Catalog: |
BB061987 |
Product Name: |
1-Bromo-4-(propane-1-sulfonyl)benzene |
CAS: |
223557-20-8 |
Synonyms: |
1-Bromo-4-(propylsulfonyl)benzene; 1-Bromo-4-(propane-1-sulfonyl)benzene; 1-bromo-4-propylsulfonylbenzene |
IUPAC Name: | 1-bromo-4-propylsulfonylbenzene |
Description: | 1-Bromo-4-(propane-1-sulfonyl)benzene |
Molecular Weight: | 263.15 |
Molecular Formula: | C9H11BrO2S |
Canonical SMILES: | CCCS(=O)(=O)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C9H11BrO2S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3 |
InChI Key: | ILRRBENNUDNIJR-UHFFFAOYSA-N |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.96631 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.96631 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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