(4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone supplier

Name
A-(P-TOLUENESULFONYL)-4-FLUOROBENZYLISONITRILE
EINECS
CAS No. 165806-95-1
Article Data17
CAS DataBase
Density 1.46g/cm3
Solubility
Melting Point
Formula C₁₅H₁₂FNO₂S
Boiling Point 164.5oC at 760mmHg
Molecular Weight 289.33
Flash Point 73.3oC
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms [a-(p-Toluenesulfonyl)-4-fluorobenzyl]isonitrile;a-(p-Tolylsulfonyl)-4-fluorobenzylisocyanide;
PSA 42.52000
LogP 3.83740

(4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone Specification

This chemical is called (4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone, and it can also be named as alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile. With the molecular formula of C₁₅H₁₂FNO₂S, its molecular weight is 289.32. The CAS registry number of this chemical is 165806-95-1.

Other characteristics of the (4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 46.88 Å²; (5)XLogP3-AA: 3.1; (6)Rotatable Bond Count: 3; (7)Topological Polar Surface Area: 46.9; (8)Heavy Atom Count: 20; (9)Formal Charge: 0; (10)Complexity: 460; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Covalently-Bonded Unit Count: 1; (15)Feature 3D Acceptor Count: 2; (16)Feature 3D Ring Count: 2.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)C([N+]#[C-])S(=O)(=O)c2ccc(cc2)C
2.InChI: InChI=1/C15H12FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3
3.InChIKey: UXCQPEDHCCJBNL-UHFFFAOYAR

Product Name

A-(P-TOLUENESULFONYL)-4-FLUOROBENZYLISONITRILE

(4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone Specification

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