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89197-62-6 | 5-Fluorobenzofuran-2-carboxylic acid
CAS No: 89197-62-6 Catalog No: AG003VMG MDL No:MFCD09038172
Product Description
Catalog Number:
AG003VMG
Chemical Name:
5-Fluorobenzofuran-2-carboxylic acid
CAS Number:
89197-62-6
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
MDL Number:
MFCD09038172
IUPAC Name:
5-fluoro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
HITUZQPFDWNUHA-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc(o2)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:
2.5
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