1H-Imidazole,2-(3-nitrophenyl)-4,5-diphenyl-(CAS No. 5496-38-8) CAS NO.5496-38-8

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Product Details

Keywords

1H-Imidazole,2-(3-nitrophenyl)-4,5-diphenyl-
5496-38-8
98%

Quick Details

ProName: 1H-Imidazole,2-(3-nitrophenyl)-4,5-dip...
CasNo: 5496-38-8
Molecular Formula: C21H15 N3 O2
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

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Details

【Name】
1H-Imidazole,2-(3-nitrophenyl)-4,5-diphenyl-
【CAS Registry number】
5496-38-8
【Synonyms】
Imidazole, 2-(m-nitrophenyl)-4,5-diphenyl-(7CI,8CI)
2-(3-Nitrophenyl)-4,5-diphenylimidazole
2-(3-Nitrophenyl)-4,5-triphenyl-1H-imidazole
NSC 95929
【Molecular Formula】
C21H15 N3 O2 (Products with the same molecular formula)
【Molecular Weight】
341.3627
【Inchi】
InChI=1/C21H15N3O2/c25-24(26)18-13-7-12-17(14-18)21-22-19(15-8-3-1-4-9-15)20(23-21)16-10-5-2-6-11-16/h1-14H,(H,22,23)
【Canonical SMILES】
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.27g/cm3
【Boiling Point】
570.2°Cat760mmHg
【Refractive Index】
1.659
【Flash Point】
298.6°C
【Computed Properties】
Molecular Weight:341.3627 [g/mol]
Molecular Formula:C21H15N3O2
XLogP3-AA:4.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:341.116427
MonoIsotopic Mass:341.116427
Topological Polar Surface Area:74.5
Heavy Atom Count:26
Formal Charge:0
Complexity:468
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:4
Conformer Sampling RMSD:0.8
CID Conformer Count:3

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