Home Carboxys 6-Fluorobenzo[b]thiophene-2-carboxylic acid

6-Fluorobenzo[b]thiophene-2-carboxylic acid

CAS No.:
142329-23-5
Catalog Number:
AG007YU1
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
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Product Description
Catalog Number:
AG007YU1
Chemical Name:
6-Fluorobenzo[b]thiophene-2-carboxylic acid
CAS Number:
142329-23-5
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
MDL Number:
MFCD06655861
IUPAC Name:
6-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5FO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key:
KAIFCLLXRYSWNU-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(c2)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:
195.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.195g/mol
Monoisotopic Mass:
195.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties