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Home Halogens 2-Acetyl-5-bromothiophene

2-Acetyl-5-bromothiophene

CAS No.:
5370-25-2
Catalog Number:
AG00DDX6
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$188
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00DDX6
Chemical Name:
2-Acetyl-5-bromothiophene
CAS Number:
5370-25-2
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
MDL Number:
MFCD00014528
IUPAC Name:
1-(5-bromothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChI Key:
IGBZCOWXSCWSHO-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)Br
EC Number:
226-363-7
NSC Number:
80366
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.924g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.069g/mol
Monoisotopic Mass:
203.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
(2E)-1-(5-Bromo-thio-phen-2-yl)-3-(2,3,4-trimeth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20120101
(E)-1-(5-Bromo-thio-phen-2-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20111201
Use of phosphonyl carbanions in the synthesis of anti-inflammatory active phosphorus-containing fused heterocycles and relevance phosphonates. European journal of medicinal chemistry 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties