Home Carboxys 5-fluoro-1-benzofuran-3-carboxylic acid

5-fluoro-1-benzofuran-3-carboxylic acid

CAS No.:
147373-09-9
Catalog Number:
AG01C3IZ
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
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Product Description
Catalog Number:
AG01C3IZ
Chemical Name:
5-fluoro-1-benzofuran-3-carboxylic acid
CAS Number:
147373-09-9
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
MDL Number:
MFCD21234545
IUPAC Name:
5-fluoro-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChI Key:
CNGNGGBYKPBLCU-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(co2)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.134g/mol
Monoisotopic Mass:
180.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties