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188966-39-4 | Pyrrolidine, 1-[2-(2,6-diiodo-4-methylphenyl)diazenyl]-
CAS No: 188966-39-4 Catalog No: AG002HLM MDL No:
Product Description
Catalog Number:
AG002HLM
Chemical Name:
Pyrrolidine, 1-[2-(2,6-diiodo-4-methylphenyl)diazenyl]-
CAS Number:
188966-39-4
Molecular Formula:
C11H13I2N3
Molecular Weight:
441.0500
IUPAC Name:
(2,6-diiodo-4-methylphenyl)-pyrrolidin-1-yldiazene
InChI:
InChI=1S/C11H13I2N3/c1-8-6-9(12)11(10(13)7-8)14-15-16-4-2-3-5-16/h6-7H,2-5H2,1H3
InChI Key:
FNBHSEMMTWSWDF-UHFFFAOYSA-N
SMILES:
Ic1cc(C)cc(c1N=NN1CCCC1)I
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.92g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.055g/mol
Monoisotopic Mass:
440.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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