Home Carboxys 4-Bromo-1-benzothiophene-2-carboxylic acid

4-Bromo-1-benzothiophene-2-carboxylic acid

CAS No.:
5194-37-6
Catalog Number:
AG00DDSZ
Molecular Formula:
C9H5BrO2S
Molecular Weight:
257.1038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$32
- +
5g
96%
In Stock USA
United States
$113
- +
25g
96%
In Stock USA
United States
$450
- +
100g
96%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG00DDSZ
Chemical Name:
4-Bromo-1-benzothiophene-2-carboxylic acid
CAS Number:
5194-37-6
Molecular Formula:
C9H5BrO2S
Molecular Weight:
257.1038
MDL Number:
MFCD03407342
IUPAC Name:
4-bromo-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5BrO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
LAYNZUFIYSYHIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)c(Br)ccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.919g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.101g/mol
Monoisotopic Mass:
255.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties