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70060-13-8

70060-13-8 | 5-Fluorobenzo[b]thiophene-2-carboxylic acid

CAS No: 70060-13-8 Catalog No: AG0038H2 MDL No:MFCD01927184

Product Description

Catalog Number:
AG0038H2
Chemical Name:
5-Fluorobenzo[b]thiophene-2-carboxylic acid
CAS Number:
70060-13-8
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
MDL Number:
MFCD01927184
IUPAC Name:
5-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
PLVPMOSTGNZKQQ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(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:
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  

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