4-Bromo-2-ethoxy-1-methanesulfonylbenzene - CAS 1423037-38-0
Catalog: |
BB055354 |
Product Name: |
4-Bromo-2-ethoxy-1-methanesulfonylbenzene |
CAS: |
1423037-38-0 |
Synonyms: |
4-Bromo-2-ethoxy-1-methanesulfonylbenzene; 4-bromo-2-ethoxy-1-methylsulfonylbenzene; Benzene, 4-bromo-2-ethoxy-1-(methylsulfonyl)- |
IUPAC Name: | 4-bromo-2-ethoxy-1-methylsulfonylbenzene |
Description: | 4-Bromo-2-ethoxy-1-methanesulfonylbenzene |
Molecular Weight: | 279.15 |
Molecular Formula: | C9H11BrO3S |
Canonical SMILES: | CCOC1=C(C=CC(=C1)Br)S(=O)(=O)C |
InChI: | InChI=1S/C9H11BrO3S/c1-3-13-8-6-7(10)4-5-9(8)14(2,11)12/h4-6H,3H2,1-2H3 |
InChI Key: | XWRFYPHIYNCMQL-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.96123 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.96123 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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