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41080-94-8 | Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-6-nitro-
CAS No: 41080-94-8 Catalog No: AG00COY1 MDL No:
Product Description
Catalog Number:
AG00COY1
Chemical Name:
Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-6-nitro-
CAS Number:
41080-94-8
IUPAC Name:
1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-6-nitrobenzene
InChI:
InChI=1S/C22H36INO2/c1-14-15(11-20(2,3)4)18(23)17(13-22(8,9)10)19(24(25)26)16(14)12-21(5,6)7/h11-13H2,1-10H3
InChI Key:
AIBRTLBZSZORCO-UHFFFAOYSA-N
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.439g/mol
Monoisotopic Mass:
473.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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