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113430-84-5 | Benzene, 1-[bis(2-iodoethoxy)methyl]-4,5-dimethoxy-2-nitro-
CAS No: 113430-84-5 Catalog No: AG0008JV MDL No:
Product Description
Catalog Number:
AG0008JV
Chemical Name:
Benzene, 1-[bis(2-iodoethoxy)methyl]-4,5-dimethoxy-2-nitro-
CAS Number:
113430-84-5
Molecular Formula:
C13H17I2NO6
Molecular Weight:
537.0861
IUPAC Name:
1-[bis(2-iodoethoxy)methyl]-4,5-dimethoxy-2-nitrobenzene
InChI:
InChI=1S/C13H17I2NO6/c1-19-11-7-9(10(16(17)18)8-12(11)20-2)13(21-5-3-14)22-6-4-15/h7-8,13H,3-6H2,1-2H3
InChI Key:
NTGWFWRPMZYZLH-UHFFFAOYSA-N
SMILES:
ICCOC(c1cc(OC)c(cc1[N+](=O)[O-])OC)OCCI
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.915g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.089g/mol
Monoisotopic Mass:
536.915g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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