1-Bromo-3-(ethanesulfinyl)benzene - CAS 153435-86-0
Catalog: |
BB071539 |
Product Name: |
1-Bromo-3-(ethanesulfinyl)benzene |
CAS: |
153435-86-0 |
Synonyms: |
1-Bromo-3-(ethanesulfinyl)benzene; 1-bromo-3-ethylsulfinylbenzene; 1-Bromo-3-(ethylsulfinyl)benzene |
IUPAC Name: | 1-bromo-3-ethylsulfinylbenzene |
Description: | 1-Bromo-3-(ethanesulfinyl)benzene |
Molecular Weight: | 233.13 |
Molecular Formula: | C8H9BrOS |
Canonical SMILES: | CCS(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C8H9BrOS/c1-2-11(10)8-5-3-4-7(9)6-8/h3-6H,2H2,1H3 |
InChI Key: | KTAYYVGVOVUOOL-UHFFFAOYSA-N |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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