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655254-56-1 | α-Tosyl-(3-iodomethylbenzyl)isocyanide
CAS No: 655254-56-1 Catalog No: AG00ECXA MDL No:
Product Description
Catalog Number:
AG00ECXA
Chemical Name:
α-Tosyl-(3-iodomethylbenzyl)isocyanide
CAS Number:
655254-56-1
IUPAC Name:
1-(iodomethyl)-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
InChI:
InChI=1S/C16H14INO2S/c1-12-6-8-15(9-7-12)21(19,20)16(18-2)14-5-3-4-13(10-14)11-17/h3-10,16H,11H2,1H3
InChI Key:
GVGUWDOSVAINIM-UHFFFAOYSA-N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.979g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.257g/mol
Monoisotopic Mass:
410.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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