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1580-54-7 | 2-(3-Fluorobenzoyl)benzoic acid
CAS No: 1580-54-7 Catalog No: AG01FEXM MDL No:
Product Description
Catalog Number:
AG01FEXM
Chemical Name:
2-(3-Fluorobenzoyl)benzoic acid
CAS Number:
1580-54-7
Molecular Formula:
C14H9FO3
Molecular Weight:
244.2179
IUPAC Name:
2-(3-fluorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H9FO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,17,18)
InChI Key:
QEJCZBRESAWPCT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
329
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:
2.6
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