Home Carboxys 4-fluoro-1-benzothiophene-7-carboxylic acid

4-fluoro-1-benzothiophene-7-carboxylic acid

CAS No.:
1379164-23-4
Catalog Number:
AG01A4DP
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
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Product Description
Catalog Number:
AG01A4DP
Chemical Name:
4-fluoro-1-benzothiophene-7-carboxylic acid
CAS Number:
1379164-23-4
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
MDL Number:
MFCD20657696
IUPAC Name:
4-fluoro-1-benzothiophene-7-carboxylic acid
InChI:
InChI=1S/C9H5FO2S/c10-7-2-1-6(9(11)12)8-5(7)3-4-13-8/h1-4H,(H,11,12)
InChI Key:
SOPRMFWHAPJXKL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1scc2)F
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:
2.6  
Properties