Free Chemical Databases
-
[Synonyms]
NSC408149
7509-64-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 311.11692 [g/mol] Molecular Formula C14H8Cl2O4 XLogP 4.4 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 3 Exact Mass 309.979964 MonoIsotopic Mass 309.979964 Topological Polar Surface Area 74.6 Heavy Atom Count 20 Formal Charge 0 Complexity 351 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-(2-carboxy-6-chlorophenyl)-3-chlorobenzoic acid
Canonical SMILES: C1=CC(=C(C(=C1)Cl)C2=C(C=CC=C2Cl)C(=O)O)C(=O)O
InChI: InChI=1/C14H8Cl2O4/c15-9-5-1-3-7(13(17)18)11(9)12-8(14(19)20)4-2-6-10
(12)16/h1-6H,(H,17,18)(H,19,20)/f/h17,19H
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