1-Bromo-2-(ethanesulfonyl)benzene - CAS 1299474-17-1
Catalog: |
BB071538 |
Product Name: |
1-Bromo-2-(ethanesulfonyl)benzene |
CAS: |
1299474-17-1 |
Synonyms: |
1-Bromo-2-(ethanesulfonyl)benzene; 1-bromo-2-ethylsulfonylbenzene; 1-bromo-2-(ethylsulfonyl)benzene |
IUPAC Name: | 1-bromo-2-ethylsulfonylbenzene |
Description: | 1-Bromo-2-(ethanesulfonyl)benzene |
Molecular Weight: | 249.13 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CCS(=O)(=O)C1=CC=CC=C1Br |
InChI: | InChI=1S/C8H9BrO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3 |
InChI Key: | PIZRUAWFDMCXDV-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95066 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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