Home Other Building Blocks 2-Chlorocyclohexa-2,5-diene-1,4-dione

2-Chlorocyclohexa-2,5-diene-1,4-dione

CAS No.:
695-99-8
Catalog Number:
AG003GUH
Molecular Formula:
C6H3ClO2
Molecular Weight:
142.5398
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Product Description
Catalog Number:
AG003GUH
Chemical Name:
2-Chlorocyclohexa-2,5-diene-1,4-dione
CAS Number:
695-99-8
Molecular Formula:
C6H3ClO2
Molecular Weight:
142.5398
MDL Number:
MFCD00075260
IUPAC Name:
2-chlorocyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChI Key:
WOGWYSWDBYCVDY-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1)Cl
NSC Number:
526777
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.982g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.538g/mol
Monoisotopic Mass:
141.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
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Bioactivation of the nontricyclic antidepressant nefazodone to a reactive quinone-imine species in human liver microsomes and recombinant cytochrome P450 3A4. Drug metabolism and disposition: the biological fate of chemicals 20050201
An automated system for measuring parameters of nematode sinusoidal movement. BMC genetics 20050101
Effect of silver deposits on the photocatalytic activity of titanium dioxide for the removal of 2-chlorophenol in water. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20040101
Photoaccelerated oxidation of chlorinated phenols. Chemical communications (Cambridge, England) 20030521
Excited-state properties of Rh(2)(O(2)CCH(3))(4)(L)(2) (L = CH(3)OH, THF, PPh(3), py). Inorganic chemistry 20010312
Properties