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Home Halogens A-Tosyl-(2-bromobenzyl) isocyanide

A-Tosyl-(2-bromobenzyl) isocyanide

CAS No.:
936548-16-2
Catalog Number:
AG0061MG
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0061MG
Chemical Name:
A-Tosyl-(2-bromobenzyl) isocyanide
CAS Number:
936548-16-2
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
MDL Number:
MFCD04114784
IUPAC Name:
1-bromo-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
InChI:
InChI=1S/C15H12BrNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h3-10,15H,1H3
InChI Key:
FDHXCUCSERDBAT-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccccc1Br
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.977g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.23g/mol
Monoisotopic Mass:
348.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Complete structure analysis of OR-1746, a complex product of cyclocondensation of arylhydrazomalononitriles containing clusters of protonated and unprotonated nitrogens, by pulsed-field-gradient heteronuclear NMR. Journal of pharmaceutical and biomedical analysis 20030205
Properties