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41080-95-9 | 1,3,5-Tris(2,2-dimethylpropyl)-2-iodo-4-nitrobenzene
CAS No: 41080-95-9 Catalog No: AG00D6MS MDL No:
Product Description
Catalog Number:
AG00D6MS
Chemical Name:
1,3,5-Tris(2,2-dimethylpropyl)-2-iodo-4-nitrobenzene
CAS Number:
41080-95-9
IUPAC Name:
1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-nitrobenzene
InChI:
InChI=1S/C21H34INO2/c1-19(2,3)11-14-10-15(12-20(4,5)6)18(23(24)25)16(17(14)22)13-21(7,8)9/h10H,11-13H2,1-9H3
InChI Key:
VZUQUUDIOKJMNL-UHFFFAOYSA-N
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.412g/mol
Monoisotopic Mass:
459.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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