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835629-17-9 | Benzene, 1-iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-nitro-
CAS No: 835629-17-9 Catalog No: AG0057KO MDL No:
Product Description
Catalog Number:
AG0057KO
Chemical Name:
Benzene, 1-iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-nitro-
CAS Number:
835629-17-9
Molecular Formula:
C13H18INO6
Molecular Weight:
411.1896
IUPAC Name:
1-iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
InChI:
InChI=1S/C13H18INO6/c1-18-4-5-19-6-7-20-8-9-21-11-2-3-12(14)13(10-11)15(16)17/h2-3,10H,4-9H2,1H3
InChI Key:
BDZWWESTKJIIDD-UHFFFAOYSA-N
SMILES:
COCCOCCOCCOc1ccc(c(c1)[N+](=O)[O-])I
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.192g/mol
Monoisotopic Mass:
411.018g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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