Free Chemical Databases
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[Synonyms]
3,4-Dichlorocyclobutenedione
3-Cyclobuten-1,2-dione, 3,4-dichloro-
3-Cyclobutene-1,2-dione,3,4-dichloro-
3-Cyclobutene-1,2-dione, 3,4-dichloro-
2892-63-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 150.9476 [g/mol] Molecular Formula C4Cl2O2 XLogP 0.6 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 0 Exact Mass 149.927535 MonoIsotopic Mass 149.927535 Topological Polar Surface Area 34.1 Heavy Atom Count 8 Formal Charge 0 Complexity 182 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: 3,4-dichlorocyclobut-3-ene-1,2-dione
Canonical SMILES: C1(=C(C(=O)C1=O)Cl)Cl
InChI: InChI=1/C4Cl2O2/c5-1-2(6)4(8)3(1)7
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