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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(4-methylphenyl)-
1187169-69-2 structure

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(4-methylphenyl)-

Iupac Name:(6-chloropyridin-3-yl)-(3,4-difluorophenyl)methanone
CAS No.:1187169-69-2
EINECS(EC#): 213-309-2
Molecular Weight:253.633
Molecular Formula:C10H11CLN2S (isomer)
Names and Identifiers
Synonyms

2,5-dihydroxy-3,6-bis(4-methylphenyl)benzo-1,4-quinone 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione 2,5-dihydroxy-3,6-bis(p-tolyl)-1,4-benzoquinone AC1L5H5Z AC1Q6ITM CHEMBL1724651 CTK4G1175 DTXSID90182541 mls002707144 nsc 121839 nsc121839 nsc-121839 p-Benzoquinone,2,5-dihydroxy-3,6-di-p-tolyl- (6CI,7CI,8CI) smr001574539 ZINC1711016

Inchi
InChI=1S/C12H6ClF2NO/c13-11-4-2-8(6-16-11)12(17)7-1-3-9(14)10(15)5-7/h1-6H
InChkey
ZMHAQASWMQOBOJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1C(=O)C2=CN=C(C=C2)Cl)F)F
Properties
Density
1.573
Boiling Point
°Cat760mmHg
Flash Point
192.2°C
Computational chemical data
  • Molecular Weight:253.633g/mol
  • Molecular Formula:C10H11CLN2S
  • Compound Is Canonicalized:True
  • Exact Mass:253.011
  • Monoisotopic Mass:253.011
  • Complexity:290
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:30A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByIYAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwIAAAAADAbBmiw8gJIIEACo ArB3RACCgCA1ByAI2CE4ZtgIIPrBl5GEIYhggADIyccYicCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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