Free Chemical Databases
-
[Synonyms]
MLS000106866
NSC79395
ZINC00040869
SMR000111242
7209-63-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 264.66116 [g/mol] Molecular Formula C13H9ClO4 XLogP 2.7 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 264.018936 MonoIsotopic Mass 264.018936 Topological Polar Surface Area 56.5 Heavy Atom Count 18 Formal Charge 0 Complexity 331 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2-acetyl-4-chlorophenyl) furan-2-carboxylate
Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Cl)OC(=O)C2=CC=CO2
InChI: InChI=1/C13H9ClO4/c1-8(15)10-7-9(14)4-5-11(10)18-13(16)12-3-2-6-17-12/
h2-7H,1H3
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