4-tritylbenzenesulf...

4-tritylbenzenesulfonamide(CAS No. 5465-51-0)

4-tritylbenzenesulfonamide(CAS No. 5465-51-0)

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4-tritylbenzenesulfonamide 5465-51-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
4-tritylbenzenesulfonamide
【Iupac name】
4-tritylbenzenesulfonamide
【CAS Registry number】
5465-51-0
【Synonyms】
4-tritylbenzenesulfonamide
5465-51-0
NSC29019
AC1L5MYQ
AC1Q6TWC
AR-1G4831
NSC-29019
【Molecular Formula】
C25H21NO2S (Products with the same molecular formula)
【Molecular Weight】
399.5047
【Inchi】
InChI=1/C25H21NO2S/c26-29(27,28)24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,(H2,26,27,28)
【Canonical SMILES】
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N
【MOL File】
5465-51-0.mol
Chemical and Physical Properties
【Density】
1.229g/cm3
【Boiling Point】
553.7°C at 760 mmHg
【Refractive Index】
1.646
【Flash Point】
288.7°C
【Computed Properties】
Molecular Weight:399.50474 [g/mol]
Molecular Formula:C25H21NO2S
XLogP3:5.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:399.1293
MonoIsotopic Mass:399.1293
Topological Polar Surface Area:68.5
Heavy Atom Count:29
Formal Charge:0
Complexity:554
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 Ring Count:4
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:3

 

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