2-Bromo-1,3-dimethyl-5-[3-(methylsulfonyl)propoxy]benzene - CAS 1372195-69-1
Catalog: |
BB008527 |
Product Name: |
2-Bromo-1,3-dimethyl-5-[3-(methylsulfonyl)propoxy]benzene |
CAS: |
1372195-69-1 |
Synonyms: |
2-bromo-1,3-dimethyl-5-(3-methylsulfonylpropoxy)benzene; 2-bromo-1,3-dimethyl-5-(3-methylsulfonylpropoxy)benzene |
IUPAC Name: | 2-bromo-1,3-dimethyl-5-(3-methylsulfonylpropoxy)benzene |
Description: | 2-Bromo-1,3-dimethyl-5-[3-(methylsulfonyl)propoxy]benzene (CAS# 1372195-69-1 ) is a useful research chemical. |
Molecular Weight: | 321.23 |
Molecular Formula: | C12H17BrO3S |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)OCCCS(=O)(=O)C |
InChI: | InChI=1S/C12H17BrO3S/c1-9-7-11(8-10(2)12(9)13)16-5-4-6-17(3,14)15/h7-8H,4-6H2,1-3H3 |
InChI Key: | BCNCIMZVAMSCOG-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3573953-A1 | Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
EP-3573959-A1 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
EP-3573965-A1 | Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
EP-3573969-A1 | Benzyloxypyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
JP-2020505393-A | Benzylaminopyrazinylcyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof | 20170126 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.00818 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.00818 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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