- Product Details
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
- ProName: 6,6'-[benzene-1,4-diylbis(iminomethyly...
- CasNo: 5344-68-3
- Molecular Formula: C20H16N2O2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
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