Home  > 2-Bromo-5-(diethoxymethyl)-3-methylthiophene

AA00121

1000018-59-6 | 2-Bromo-5-(diethoxymethyl)-3-methylthiophene

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $86.00 $60.00 -   +
5g 95% In Stock US $300.00 $210.00 -   +
25g 95% In Stock US $1,200.00 $840.00 -   +

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Description
Catalog Number: AA00121
Chemical Name: 2-Bromo-5-(diethoxymethyl)-3-methylthiophene
CAS Number: 1000018-59-6
Molecular Formula: C10H15BrO2S
Molecular Weight: 279.1939
MDL Number: MFCD06657808
IUPAC Name: 2-bromo-5-(diethoxymethyl)-3-methylthiophene
InChl: InChI=1S/C10H15BrO2S/c1-4-12-10(13-5-2)8-6-7(3)9(11)14-8/h6,10H,4-5H2,1-3H3
InChl Key: XIHFWFIXJSZBPH-UHFFFAOYSA-N
SMILES: CCOC(c1cc(c(s1)Br)C)OCC

 

Computed Properties
Complexity: 162  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 277.998g/mol
Formal Charge: 0
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Molecular Weight: 279.192g/mol
Monoisotopic Mass: 277.998g/mol
Rotatable Bond Count: 5  
Topological Polar Surface Area: 46.7A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.4  

 

 

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