Home Carboxys 5-Bromo-1-benzothiophene-2-carboxylic acid

5-Bromo-1-benzothiophene-2-carboxylic acid

CAS No.:
7312-10-9
Catalog Number:
AG0039F1
Molecular Formula:
C9H5BrO2S
Molecular Weight:
257.1038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$80
- +
Product Description
Catalog Number:
AG0039F1
Chemical Name:
5-Bromo-1-benzothiophene-2-carboxylic acid
CAS Number:
7312-10-9
Molecular Formula:
C9H5BrO2S
Molecular Weight:
257.1038
MDL Number:
MFCD01929338
IUPAC Name:
5-bromo-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5BrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
ONNFNEFYXIPHCA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(s2)C(=O)O
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