Home Carboxys 5-fluoro-1-benzofuran-4-carboxylic acid

5-fluoro-1-benzofuran-4-carboxylic acid

CAS No.:
1782816-93-6
Catalog Number:
AG01ALJK
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
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Product Description
Catalog Number:
AG01ALJK
Chemical Name:
5-fluoro-1-benzofuran-4-carboxylic acid
CAS Number:
1782816-93-6
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
MDL Number:
MFCD28520604
IUPAC Name:
5-fluoro-1-benzofuran-4-carboxylic acid
InChI:
InChI=1S/C9H5FO3/c10-6-1-2-7-5(3-4-13-7)8(6)9(11)12/h1-4H,(H,11,12)
InChI Key:
XOPTVRRITNEBNF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc2c1cco2
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