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655254-68-5 | α-Tosyl-(4-iodomethylbenzyl)isocyanide
CAS No: 655254-68-5 Catalog No: AG00ECXB MDL No:
Product Description
Catalog Number:
AG00ECXB
Chemical Name:
α-Tosyl-(4-iodomethylbenzyl)isocyanide
CAS Number:
655254-68-5
IUPAC Name:
1-[[4-(iodomethyl)phenyl]-isocyanomethyl]sulfonyl-4-methylbenzene
InChI:
InChI=1S/C16H14INO2S/c1-12-3-9-15(10-4-12)21(19,20)16(18-2)14-7-5-13(11-17)6-8-14/h3-10,16H,11H2,1H3
InChI Key:
FYWRJNIPLVUVHS-UHFFFAOYSA-N
Properties
Complexity:
474
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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