6,6'-[benzene-1,4-d...

6,6'-[benzene-1,4-diylbis(iminomethylylidene)]biscyclohexa-2,4-dien-1-one 5344-68-3

6,6'-[benzene-1,4-diylbis(iminomethylylidene)]biscyclohexa-2,4-dien-1-one 5344-68-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

6-[[[4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]amino]methylidene]cyclohexa-2,4-dien-1 5344-68-3 C20H16N2O2

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
6,6'-[benzene-1,4-diylbis(iminomethylylidene)]biscyclohexa-2,4-dien-1-one
【CAS Registry number】
5344-68-3
【Synonyms】
AC1NS4YZ
ZINC16891020
6-[[4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]anilino]methylidene]cyclohexa-2,4-dien-1-one
【Molecular Formula】
C20H16N2O2 (Products with the same molecular formula)
【Molecular Weight】
316.3532
【Inchi】
InChI=1/C20H16N2O2/c23-19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24/h1-14,21-22H
【Canonical SMILES】
C1=CC(=CNC2=CC=C(C=C2)NC=C3C=CC=CC3=O)C(=O)C=C1
【MOL File】
5344-68-3.mol
Chemical and Physical Properties
【Density】
1.446g/cm3
【Boiling Point】
530.8°C at 760 mmHg
【Refractive Index】
1.86
【Flash Point】
191.6°C
【Computed Properties】
Molecular Weight:316.35324 [g/mol]
Molecular Formula:C20H16N2O2
XLogP3-AA:3.8
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:10
Exact Mass:316.121178
MonoIsotopic Mass:316.121178
Topological Polar Surface Area:58.2
Heavy Atom Count:24
Formal Charge:0
Complexity:624
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.8
CID Conformer Count:11

 

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