Home Carboxys 4-Bromo-5-propylthiophene-2-carboxylic acid

4-Bromo-5-propylthiophene-2-carboxylic acid

CAS No.:
869951-15-5
Catalog Number:
AG004NW5
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG004NW5
Chemical Name:
4-Bromo-5-propylthiophene-2-carboxylic acid
CAS Number:
869951-15-5
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
MDL Number:
MFCD03422296
IUPAC Name:
4-bromo-5-propylthiophene-2-carboxylic acid
InChI:
InChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
WMBFFUJISNVJLE-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1Br)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.951g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.122g/mol
Monoisotopic Mass:
247.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties