Home Halogens 3-bromo-1-benzothiophene

3-bromo-1-benzothiophene

CAS No.:
7342-82-7
Catalog Number:
AG003IZF
Molecular Formula:
C8H5BrS
Molecular Weight:
213.0943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$38
- +
10g
96%
In Stock USA
United States
$63
- +
25g
96%
In Stock USA
United States
$125
- +
100g
96%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003IZF
Chemical Name:
3-bromo-1-benzothiophene
CAS Number:
7342-82-7
Molecular Formula:
C8H5BrS
Molecular Weight:
213.0943
MDL Number:
MFCD00023009
IUPAC Name:
3-bromo-1-benzothiophene
InChI:
InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
SRWDQSRTOOMPMO-UHFFFAOYSA-N
SMILES:
Brc1csc2c1cccc2
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.93g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.092g/mol
Monoisotopic Mass:
211.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties