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142153-72-8 | 2-Benzoyl-5-fluorobenzoic acid
CAS No: 142153-72-8 Catalog No: AG01FF2A MDL No:
Product Description
Catalog Number:
AG01FF2A
Chemical Name:
2-Benzoyl-5-fluorobenzoic acid
CAS Number:
142153-72-8
Molecular Formula:
C14H9FO3
Molecular Weight:
244.2179
IUPAC Name:
2-benzoyl-5-fluorobenzoic acid
InChI:
InChI=1S/C14H9FO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChI Key:
SAUMKHGIHVGNOW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)C(=O)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.221g/mol
Monoisotopic Mass:
244.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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