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Home Carbonyls 3-Chlorobenzo[b]thiophene-2-carbonyl chloride

3-Chlorobenzo[b]thiophene-2-carbonyl chloride

CAS No.:
21815-91-8
Catalog Number:
AG003JAE
Molecular Formula:
C9H4Cl2OS
Molecular Weight:
231.0985
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$113
- +
25g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003JAE
Chemical Name:
3-Chlorobenzo[b]thiophene-2-carbonyl chloride
CAS Number:
21815-91-8
Molecular Formula:
C9H4Cl2OS
Molecular Weight:
231.0985
MDL Number:
MFCD00053069
IUPAC Name:
3-chloro-1-benzothiophene-2-carbonyl chloride
InChI:
InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H
InChI Key:
GWKSSMDJEWPKCM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1sc2c(c1Cl)cccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.936g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.09g/mol
Monoisotopic Mass:
229.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Synthesis of oxadiazoles, thiadiazoles and triazoles derived from benzo[b]thiophene. Molecules (Basel, Switzerland) 20050930
Properties