Home Carboxys 5-Chloro-benzo[b]thiophene-3-carboxylic acid

5-Chloro-benzo[b]thiophene-3-carboxylic acid

CAS No.:
16361-24-3
Catalog Number:
AG001UA8
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$63
- +
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG001UA8
Chemical Name:
5-Chloro-benzo[b]thiophene-3-carboxylic acid
CAS Number:
16361-24-3
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
MDL Number:
MFCD00052301
IUPAC Name:
5-chloro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C9H5ClO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChI Key:
RTBIQTHYQWFIAO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(cs2)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:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.647g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties